ChemSpider 2D Image | (1S,3aE,6E,9R,10S,10aS)-7-Methyl-10-[(2R)-6-methyl-5-hepten-2-yl]-3,5,8,9,10,10a-hexahydro-1H-cyclonona[c]furan-1,9-diol | C20H32O3

(1S,3aE,6E,9R,10S,10aS)-7-Methyl-10-[(2R)-6-methyl-5-hepten-2-yl]-3,5,8,9,10,10a-hexahydro-1H-cyclonona[c]furan-1,9-diol

  • Molecular FormulaC20H32O3
  • Average mass320.466 Da
  • Monoisotopic mass320.235138 Da
  • ChemSpider ID44210883

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,3aE,6E,9R,10S,10aS)-7-Methyl-10-[(2R)-6-methyl-5-hepten-2-yl]-3,5,8,9,10,10a-hexahydro-1H-cyclonona[c]furan-1,9-diol [German] [ACD/IUPAC Name]
(1S,3aE,6E,9R,10S,10aS)-7-Methyl-10-[(2R)-6-methyl-5-hepten-2-yl]-3,5,8,9,10,10a-hexahydro-1H-cyclonona[c]furan-1,9-diol [ACD/IUPAC Name]
(1S,3aE,6E,9R,10S,10aS)-7-Méthyl-10-[(2R)-6-méthyl-5-heptén-2-yl]-3,5,8,9,10,10a-hexahydro-1H-cyclonona[c]furane-1,9-diol [French] [ACD/IUPAC Name]
1H-Cyclonona[c]furan-1,9-diol, 10-[(1R)-1,5-dimethyl-4-hexen-1-yl]-3,5,8,9,10,10a-hexahydro-7-methyl-, (1S,3aE,6E,9R,10S,10aS)- [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: 467.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 236.6±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 416.15
ACD/KOC (pH 5.5): 2608.93
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 416.15
ACD/KOC (pH 7.4): 2608.92
Polar Surface Area: 50 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 303.5±5.0 cm3

Click to predict properties on the Chemicalize site


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