ChemSpider 2D Image | (3aS,6E,10E,11aS)-6,10-Dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one | C15H20O2

(3aS,6E,10E,11aS)-6,10-Dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one

  • Molecular FormulaC15H20O2
  • Average mass232.318 Da
  • Monoisotopic mass232.146332 Da
  • ChemSpider ID78429572
  • 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,6E,10E,11aS)-6,10-Dimethyl-3-methylen-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,6E,10E,11aS)-6,10-Dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one [ACD/IUPAC Name]
(3aS,6E,10E,11aS)-6,10-Diméthyl-3-méthylène-3a,4,5,8,9,11a-hexahydrocyclodéca[b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, (3aS,6E,10E,11aS)- [ACD/Index Name]
(3As,6E,10E,11aS)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 385.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 162.0±25.3 °C
Index of Refraction: 1.519
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 211.49
ACD/KOC (pH 5.5): 1607.10
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 211.49
ACD/KOC (pH 7.4): 1607.10
Polar Surface Area: 26 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 35.1±5.0 dyne/cm
Molar Volume: 224.5±5.0 cm3

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