ChemSpider 2D Image | 1-Isopropenyl-5a,5b,8,8,10a-pentamethyl-9-oxooctadecahydrodicyclopenta[a,i]phenanthrene-3a(1H)-carboxylic acid | C29H44O3

1-Isopropenyl-5a,5b,8,8,10a-pentamethyl-9-oxooctadecahydrodicyclopenta[a,i]phenanthrene-3a(1H)-carboxylic acid

  • Molecular FormulaC29H44O3
  • Average mass440.658 Da
  • Monoisotopic mass440.329041 Da
  • ChemSpider ID72390824

More details:

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

1-Isopropenyl-5a,5b,8,8,10a-pentamethyl-9-oxooctadecahydrodicyclopenta[a,i]phenanthren-3a(1H)-carbonsäure [German] [ACD/IUPAC Name]
1-Isopropenyl-5a,5b,8,8,10a-pentamethyl-9-oxooctadecahydrodicyclopenta[a,i]phenanthrene-3a(1H)-carboxylic acid [ACD/IUPAC Name]
Acide 1-isopropényl-5a,5b,8,8,10a-pentaméthyl-9-oxooctadécahydrodicyclopenta[a,i]phénanthrène-3a(1H)-carboxylique [French] [ACD/IUPAC Name]
Dicyclopenta[a,i]phenanthrene-3a(1H)-carboxylic acid, octadecahydro-5a,5b,8,8,10a-pentamethyl-1-(1-methylethenyl)-9-oxo- [ACD/Index Name]
1-decarboxy-3-oxo-ceanothic acid
214150-74-0 [RN]
MFCD20260753

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 88.8±6.0 kJ/mol
Flash Point: 291.7±26.6 °C
Index of Refraction: 1.531
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 10054.12
ACD/KOC (pH 5.5): 13829.46
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 158.12
ACD/KOC (pH 7.4): 217.50
Polar Surface Area: 54 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 410.6±3.0 cm3

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