ChemSpider 2D Image | (3S,3aS,4S,5R,7E,10E)-3-Methoxy-7-methyl-4-[(2R)-6-methyl-5-hepten-2-yl]-3,3a,4,5,6,9-hexahydro-1H-cyclonona[c]furan-5-ol | C21H34O3

(3S,3aS,4S,5R,7E,10E)-3-Methoxy-7-methyl-4-[(2R)-6-methyl-5-hepten-2-yl]-3,3a,4,5,6,9-hexahydro-1H-cyclonona[c]furan-5-ol

  • Molecular FormulaC21H34O3
  • Average mass334.493 Da
  • Monoisotopic mass334.250793 Da
  • ChemSpider ID44210884

  • 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

(3S,3aS,4S,5R,7E,10E)-3-Methoxy-7-methyl-4-[(2R)-6-methyl-5-hepten-2-yl]-3,3a,4,5,6,9-hexahydro-1H-cyclonona[c]furan-5-ol [German] [ACD/IUPAC Name]
(3S,3aS,4S,5R,7E,10E)-3-Methoxy-7-methyl-4-[(2R)-6-methyl-5-hepten-2-yl]-3,3a,4,5,6,9-hexahydro-1H-cyclonona[c]furan-5-ol [ACD/IUPAC Name]
(3S,3aS,4S,5R,7E,10E)-3-Méthoxy-7-méthyl-4-[(2R)-6-méthyl-5-heptén-2-yl]-3,3a,4,5,6,9-hexahydro-1H-cyclonona[c]furan-5-ol [French] [ACD/IUPAC Name]
1H-Cyclonona[c]furan-5-ol, 4-[(1R)-1,5-dimethyl-4-hexen-1-yl]-3,3a,4,5,6,9-hexahydro-3-methoxy-7-methyl-, (3S,3aS,4S,5R,7E,10E)- [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: 450.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 226.1±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2500.67
ACD/KOC (pH 5.5): 9417.25
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2500.67
ACD/KOC (pH 7.4): 9417.25
Polar Surface Area: 39 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 328.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement