ChemSpider 2D Image | (4aR,4bS,7S,8aS,10aS)-4b,7,10a-Trimethyl-7-vinyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1-phenanthrenecarboxylic acid | C20H30O2

(4aR,4bS,7S,8aS,10aS)-4b,7,10a-Trimethyl-7-vinyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1-phenanthrenecarboxylic acid

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID35517017

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4aR,4bS,7S,8aS,10aS)-4b,7,10a-Trimethyl-7-vinyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1-phenanthrencarbonsäure [German] [ACD/IUPAC Name]
(4aR,4bS,7S,8aS,10aS)-4b,7,10a-Trimethyl-7-vinyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1-phenanthrenecarboxylic acid [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 7-ethenyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-4b,7,10a-trimethyl-, (4aR,4bS,7S,8aS,10aS)- [ACD/Index Name]
Acide (4aR,4bS,7S,8aS,10aS)-4b,7,10a-triméthyl-7-vinyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodécahydro-1-phénanthrènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 403.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.8±6.0 kJ/mol
Flash Point: 195.1±23.4 °C
Index of Refraction: 1.557
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 7062.10
ACD/KOC (pH 5.5): 12006.07
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 114.27
ACD/KOC (pH 7.4): 194.26
Polar Surface Area: 37 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 282.7±3.0 cm3

Click to predict properties on the Chemicalize site


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