Molecular formula
C14H22O

SMILES
CC(=O)CC1CC[C@@]2(C1C(=C)CCC2)C

Fragrance
Woody	69.21%
Floral	60.23%
Green	41.14%
Fruity	40.72%
Orris	39.23%
Amber	37.32%
Dry	36.15%
Animal	30.94%
Fresh	30.55%
Violet	29.74%

 

Flavor
Fruity	51.8%
Woody	50.69%
Sweet	39.15%
Floral	36.29%
Minty	32.19%
Spicy	31.32%
Herbal	30.94%
Wood	29.05%
Spice	26.98%
Mint	26.8%

 

Odor impact est.
Medium

XLogP3-AA
3.3

pKa est.
9.43 (weak base)

Molecular weight
206.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
294°C

Flash point

• 124.96 ˚C est.

• LTLLRSRCWUAIJT-JXQTWKCFSA-N
• 13-nor-Opposit-4(15)-en-11-one

13-nor-Opposit-4(15)-en-11-one is commonly used as an intermediate in pharmaceutical manufacture, serving as a steroidal framework building block and a precursor for the synthesis of steroidal compounds and their derivatives; it is also used as a substrate for complex organic synthesis and may serve as a reference material or analytical standard in pharmaceutical and chemical research.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	5744.45
methanol	7070.82
isopropanol	5718.8
water	3.52
ethyl acetate	5124.62
n-propanol	5028.77
acetone	6942.9
n-butanol	4455.01
acetonitrile	6110.92
DMF	5405.74
toluene	3107.37
isobutanol	3415.73
1,4-dioxane	9240.84
methyl acetate	3674.28
THF	12428.38
2-butanone	4269.94
n-pentanol	1359.24
sec-butanol	2598.65
n-hexane	103.13
ethylene glycol	582.29
NMP	2106.3
cyclohexane	557.67
DMSO	2238.56
n-butyl acetate	2624.33
n-octanol	532.74
chloroform	8551.07
n-propyl acetate	1479.07
acetic acid	2429.31
dichloromethane	7403.16
cyclohexanone	5105.1
propylene glycol	911.72
isopropyl acetate	3344.94
DMAc	1930.66
2-ethoxyethanol	1669.2
isopentanol	3169.52
n-heptane	117.89
ethyl formate	2909.57
1,2-dichloroethane	4153.9
n-hexanol	2558.71
2-methoxyethanol	5310.93
isobutyl acetate	994.52
tetrachloromethane	969.89
n-pentyl acetate	1146.04
transcutol	7853.14
n-heptanol	607.21
ethylbenzene	640.97
MIBK	2140.13
2-propoxyethanol	4057.45
tert-butanol	4443.84
MTBE	4023.66
2-butoxyethanol	1297.99
propionic acid	2086.99
o-xylene	922.18
formic acid	919.18
diethyl ether	5210.8
m-xylene	1584.34
p-xylene	726.61
chlorobenzene	2748.56
dimethyl carbonate	1309.54
n-octane	34.28
formamide	1543.46
cyclopentanone	5636.31
2-pentanone	4200.8
anisole	1494.14
cyclopentyl methyl ether	4350.84
gamma-butyrolactone	5833.35
1-methoxy-2-propanol	4229.21
pyridine	4997.3
3-pentanone	2149.53
furfural	3406.77
n-dodecane	27.0
diethylene glycol	2051.0
diisopropyl ether	1168.68
tert-amyl alcohol	1831.83
acetylacetone	3527.26
n-hexadecane	33.25
acetophenone	930.53
methyl propionate	3092.62
isopentyl acetate	2216.22
trichloroethylene	6871.42
n-nonanol	422.57
cyclohexanol	3000.64
benzyl alcohol	1058.67
2-ethylhexanol	861.76
isooctanol	446.75
dipropyl ether	1447.51
1,2-dichlorobenzene	1673.34
ethyl lactate	493.09
propylene carbonate	2735.72
n-methylformamide	3967.81
2-pentanol	2303.2
n-pentane	252.46
1-propoxy-2-propanol	2377.18
1-methoxy-2-propyl acetate	2753.75
2-(2-methoxypropoxy) propanol	950.11
mesitylene	725.87
ε-caprolactone	3724.72
p-cymene	376.08
epichlorohydrin	6827.89
1,1,1-trichloroethane	3487.69
2-aminoethanol	1630.91
morpholine-4-carbaldehyde	3549.1
sulfolane	2534.09
2,2,4-trimethylpentane	82.95
2-methyltetrahydrofuran	6938.0
n-hexyl acetate	1626.9
isooctane	102.39
2-(2-butoxyethoxy)ethanol	1611.06
sec-butyl acetate	1067.37
tert-butyl acetate	2496.81
decalin	114.8
glycerin	949.84
diglyme	3334.01
acrylic acid	1358.25
isopropyl myristate	435.47
n-butyric acid	4013.04
acetyl acetate	2301.81
di(2-ethylhexyl) phthalate	384.03
ethyl propionate	1316.89
nitromethane	4727.38
1,2-diethoxyethane	3032.34
benzonitrile	2253.49
trioctyl phosphate	263.9
1-bromopropane	2670.44
gamma-valerolactone	6503.13
n-decanol	281.09
triethyl phosphate	357.3
4-methyl-2-pentanol	1118.46
propionitrile	4750.27
vinylene carbonate	2640.96
1,1,2-trichlorotrifluoroethane	2295.48
DMS	1180.51
cumene	350.07
2-octanol	375.14
2-hexanone	1315.75
octyl acetate	546.14
limonene	582.1
1,2-dimethoxyethane	3160.57
ethyl orthosilicate	367.95
tributyl phosphate	391.8
diacetone alcohol	1955.2
N,N-dimethylaniline	669.69
acrylonitrile	4305.86
aniline	3012.81
1,3-propanediol	2879.46
bromobenzene	2785.37
dibromomethane	4348.16
1,1,2,2-tetrachloroethane	4324.67
2-methyl-cyclohexyl acetate	738.14
tetrabutyl urea	429.15
diisobutyl methanol	465.2
2-phenylethanol	1495.89
styrene	903.87
dioctyl adipate	517.71
dimethyl sulfate	945.91
ethyl butyrate	1292.13
methyl lactate	906.34
butyl lactate	704.53
diethyl carbonate	735.32
propanediol butyl ether	1008.71
triethyl orthoformate	768.52
p-tert-butyltoluene	376.1
methyl 4-tert-butylbenzoate	735.77
morpholine	10020.72
tert-butylamine	2657.27
n-dodecanol	194.84
dimethoxymethane	5618.01
ethylene carbonate	2580.28
cyrene	605.71
2-ethoxyethyl acetate	1921.39
2-ethylhexyl acetate	1490.11
1,2,4-trichlorobenzene	1734.92
4-methylpyridine	5296.58
dibutyl ether	896.25
2,6-dimethyl-4-heptanol	465.2
DEF	2853.71
dimethyl isosorbide	1659.21
tetrachloroethylene	2487.46
eugenol	697.37
triacetin	984.16
span 80	763.04
1,4-butanediol	544.64
1,1-dichloroethane	5025.78
2-methyl-1-pentanol	994.66
methyl formate	2934.29
2-methyl-1-butanol	2258.44
n-decane	52.04
butyronitrile	5023.35
3,7-dimethyl-1-octanol	615.05
1-chlorooctane	327.15
1-chlorotetradecane	102.9
n-nonane	50.35
undecane	35.88
tert-butylcyclohexane	97.66
cyclooctane	139.25
cyclopentanol	2979.97
tetrahydropyran	9704.26
tert-amyl methyl ether	1568.67
2,5,8-trioxanonane	1677.69
1-hexene	559.56
2-isopropoxyethanol	1055.2
2,2,2-trifluoroethanol	781.51
methyl butyrate	1684.76

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