ChemSpider 2D Image | (4aS,7R,8aR)-7-Isopropenyl-4a-methyl-3-methyleneoctahydro-2H-chromen-2-one | C14H20O2

(4aS,7R,8aR)-7-Isopropenyl-4a-methyl-3-methyleneoctahydro-2H-chromen-2-one

  • Molecular FormulaC14H20O2
  • Average mass220.307 Da
  • Monoisotopic mass220.146332 Da
  • ChemSpider ID21180675

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,7R,8aR)-7-Isopropenyl-4a-methyl-3-methyleneoctahydro-2H-chromen-2-one [ACD/IUPAC Name]
(4aS,7R,8aR)-7-Isopropényl-4a-méthyl-3-méthylèneoctahydro-2H-chromén-2-one [French] [ACD/IUPAC Name]
(4aS,7R,8aR)-7-Isopropenyl-4a-methyl-3-methylenoctahydro-2H-chromen-2-on [German] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, octahydro-4a-methyl-3-methylene-7-(1-methylethenyl)-, (4aS,7R,8aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 337.8±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 140.1±25.0 °C
Index of Refraction: 1.498
Molar Refractivity: 63.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 433.11
ACD/KOC (pH 5.5): 2684.60
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.11
ACD/KOC (pH 7.4): 2684.60
Polar Surface Area: 26 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 32.9±5.0 dyne/cm
Molar Volume: 217.3±5.0 cm3

Click to predict properties on the Chemicalize site


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