ChemSpider 2D Image | (4S,5R,7R,7aS,8aS)-5-Hydroxy-7-methyl-4-[(2R)-6-methyl-5-hepten-2-yl]-1,4,5,6,7,7a,8,8a-octahydro-3H-cyclopropa[3,4]cycloocta[1,2-c]furan-3-one | C20H30O3

(4S,5R,7R,7aS,8aS)-5-Hydroxy-7-methyl-4-[(2R)-6-methyl-5-hepten-2-yl]-1,4,5,6,7,7a,8,8a-octahydro-3H-cyclopropa[3,4]cycloocta[1,2-c]furan-3-one

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID44210886

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S,5R,7R,7aS,8aS)-5-Hydroxy-7-methyl-4-[(2R)-6-methyl-5-hepten-2-yl]-1,4,5,6,7,7a,8,8a-octahydro-3H-cyclopropa[3,4]cycloocta[1,2-c]furan-3-on [German] [ACD/IUPAC Name]
(4S,5R,7R,7aS,8aS)-5-Hydroxy-7-methyl-4-[(2R)-6-methyl-5-hepten-2-yl]-1,4,5,6,7,7a,8,8a-octahydro-3H-cyclopropa[3,4]cycloocta[1,2-c]furan-3-one [ACD/IUPAC Name]
(4S,5R,7R,7aS,8aS)-5-Hydroxy-7-méthyl-4-[(2R)-6-méthyl-5-heptén-2-yl]-1,4,5,6,7,7a,8,8a-octahydro-3H-cyclopropa[3,4]cycloocta[1,2-c]furan-3-one [French] [ACD/IUPAC Name]
3H-Cyclopropa[3,4]cycloocta[1,2-c]furan-3-one, 4-[(1R)-1,5-dimethyl-4-hexen-1-yl]-1,4,5,6,7,7a,8,8a-octahydro-5-hydroxy-7-methyl-, (4S,5R,7R,7aS,8aS)- [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: 483.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.3±6.0 kJ/mol
Flash Point: 195.2±18.2 °C
Index of Refraction: 1.536
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1247.01
ACD/KOC (pH 5.5): 5722.98
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1247.01
ACD/KOC (pH 7.4): 5722.98
Polar Surface Area: 47 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 291.5±5.0 cm3

Click to predict properties on the Chemicalize site


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