ChemSpider 2D Image | (3aS,6Z,10E,12aR)-3-Isopropyl-10,12a-dimethyl-1,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulene-6-carboxylic acid | C20H30O2

(3aS,6Z,10E,12aR)-3-Isopropyl-10,12a-dimethyl-1,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulene-6-carboxylic acid

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID4475906

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6Z,10E,12aR)-3-Isopropyl-10,12a-dimethyl-1,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulen-6-carbonsäure [German] [ACD/IUPAC Name]
(3aS,6Z,10E,12aR)-3-Isopropyl-10,12a-dimethyl-1,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulene-6-carboxylic acid [ACD/IUPAC Name]
6-Cyclopentacycloundecenecarboxylic acid, 1,3a,4,5,8,9,12,12a-octahydro-10,12a-dimethyl-3-(1-methylethyl)-, (3aS,6Z,10E,12aR)- [ACD/Index Name]
Acide (3aS,6Z,10E,12aR)-3-isopropyl-10,12a-diméthyl-1,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulène-6-carboxylique [French] [ACD/IUPAC Name]
Dolabeserpenoic acid A

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

AIDS354047 [DBID]
AIDS-354047 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 427.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±6.0 kJ/mol
Flash Point: 204.6±23.4 °C
Index of Refraction: 1.512
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 8331.19
ACD/KOC (pH 5.5): 14103.14
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 137.95
ACD/KOC (pH 7.4): 233.52
Polar Surface Area: 37 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 302.3±3.0 cm3

Click to predict properties on the Chemicalize site


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