ChemSpider 2D Image | (1S,4aR,5S,8aR)-1,4a-Dimethyl-6-methylene-5-{[(2S,3R)-3-methyl-3-vinyl-2-oxiranyl]methyl}decahydro-1-naphthalenecarboxylic acid | C20H30O3

(1S,4aR,5S,8aR)-1,4a-Dimethyl-6-methylene-5-{[(2S,3R)-3-methyl-3-vinyl-2-oxiranyl]methyl}decahydro-1-naphthalenecarboxylic acid

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID30828790

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,4aR,5S,8aR)-1,4a-Dimethyl-6-methylen-5-{[(2S,3R)-3-methyl-3-vinyl-2-oxiranyl]methyl}decahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
(1S,4aR,5S,8aR)-1,4a-Dimethyl-6-methylene-5-{[(2S,3R)-3-methyl-3-vinyl-2-oxiranyl]methyl}decahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 5-[[(2S,3R)-3-ethenyl-3-methyloxiranyl]methyl]decahydro-1,4a-dimethyl-6-methylene-, (1S,4aR,5S,8aR)- [ACD/Index Name]
Acide (1S,4aR,5S,8aR)-1,4a-diméthyl-6-méthylène-5-{[(2S,3R)-3-méthyl-3-vinyl-2-oxiranyl]méthyl}décahydro-1-naphtalènecarboxylique [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: 430.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 145.1±20.8 °C
Index of Refraction: 1.530
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 357.21
ACD/KOC (pH 5.5): 1302.66
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 5.64
ACD/KOC (pH 7.4): 20.55
Polar Surface Area: 50 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 40.1±5.0 dyne/cm
Molar Volume: 295.1±5.0 cm3

Click to predict properties on the Chemicalize site


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