ChemSpider 2D Image | (4Z)-4-{2-[(3S,4aS,8aS)-3-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethylidene}dihydro-2(3H)-furanone | C20H30O3

(4Z)-4-{2-[(3S,4aS,8aS)-3-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethylidene}dihydro-2(3H)-furanone

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID26368866

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4Z)-4-{2-[(3S,4aS,8aS)-3-Hydroxy-5,5,8a-trimethyl-2-methylendecahydro-1-naphthalinyl]ethyliden}dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(4Z)-4-{2-[(3S,4aS,8aS)-3-Hydroxy-5,5,8a-triméthyl-2-méthylènedécahydro-1-naphtalényl]éthylidène}dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
(4Z)-4-{2-[(3S,4aS,8aS)-3-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethylidene}dihydro-2(3H)-furanone [ACD/IUPAC Name]
2(3H)-Furanone, 4-[2-[(3S,4aS,8aS)-decahydro-3-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-, (4Z)- [ACD/Index 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: 463.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.6±6.0 kJ/mol
Flash Point: 185.5±19.5 °C
Index of Refraction: 1.535
Molar Refractivity: 91.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 808.47
ACD/KOC (pH 5.5): 4196.67
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 808.47
ACD/KOC (pH 7.4): 4196.67
Polar Surface Area: 47 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 292.6±5.0 cm3

Click to predict properties on the Chemicalize site


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