ChemSpider 2D Image | crassocolide O | C20H26O3

crassocolide O

  • Molecular FormulaC20H26O3
  • Average mass314.419 Da
  • Monoisotopic mass314.188202 Da
  • ChemSpider ID27025752

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,5Z,10E,14E,15aS)-6,10,14-Trimethyl-3-methylen-3a,8,9,12,13,15a-hexahydrocyclotetradeca[b]furan-2,7(3H,4H)-dion [German] [ACD/IUPAC Name]
(3aS,5Z,10E,14E,15aS)-6,10,14-Trimethyl-3-methylene-3a,8,9,12,13,15a-hexahydrocyclotetradeca[b]furan-2,7(3H,4H)-dione [ACD/IUPAC Name]
(3aS,5Z,10E,14E,15aS)-6,10,14-Triméthyl-3-méthylène-3a,8,9,12,13,15a-hexahydrocyclotétradéca[b]furane-2,7(3H,4H)-dione [French] [ACD/IUPAC Name]
crassocolide O
Cyclotetradeca[b]furan-2,7(3H,4H)-dione, 3a,8,9,12,13,15a-hexahydro-6,10,14-trimethyl-3-methylene-, (3aS,5Z,10E,14E,15aS)- [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: 505.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 221.6±30.2 °C
Index of Refraction: 1.528
Molar Refractivity: 91.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 474.95
ACD/KOC (pH 5.5): 2867.80
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 474.95
ACD/KOC (pH 7.4): 2867.80
Polar Surface Area: 43 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 295.9±5.0 cm3

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