ChemSpider 2D Image | (2S,3aS,6Z,10Z,12aR)-3-Isopropylidene-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,12,12a-decahydrocyclopenta[11]annulen-2-ol | C20H32O

(2S,3aS,6Z,10Z,12aR)-3-Isopropylidene-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,12,12a-decahydrocyclopenta[11]annulen-2-ol

  • Molecular FormulaC20H32O
  • Average mass288.467 Da
  • Monoisotopic mass288.245331 Da
  • ChemSpider ID58134023

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3aS,6Z,10Z,12aR)-3-Isopropyliden-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,12,12a-decahydrocyclopenta[11]annulen-2-ol [German] [ACD/IUPAC Name]
(2S,3aS,6Z,10Z,12aR)-3-Isopropylidene-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,12,12a-decahydrocyclopenta[11]annulen-2-ol [ACD/IUPAC Name]
(2S,3aS,6Z,10Z,12aR)-3-Isopropylidène-6,10,12a-triméthyl-1,2,3,3a,4,5,8,9,12,12a-décahydrocyclopenta[11]annulén-2-ol [French] [ACD/IUPAC Name]
2-Cyclopentacycloundecenol, 1,2,3,3a,4,7,8,11,12,12a-decahydro-3a,6,10-trimethyl-1-(1-methylethylidene)-, (2S,3aR,5Z,9Z,12aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 395.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.6±6.0 kJ/mol
Flash Point: 168.3±20.1 °C
Index of Refraction: 1.507
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 55718.37
ACD/KOC (pH 5.5): 86849.43
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 55718.37
ACD/KOC (pH 7.4): 86849.43
Polar Surface Area: 20 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 305.6±3.0 cm3

Click to predict properties on the Chemicalize site


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