ChemSpider 2D Image | lobophytumin E | C20H30O

lobophytumin E

  • Molecular FormulaC20H30O
  • Average mass286.452 Da
  • Monoisotopic mass286.229675 Da
  • ChemSpider ID27025728

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-Hepten-4-one, 6-[(1R,3aS,3bR,6aS,6bR)-decahydro-3a-methyl-6-methylenecyclobuta[1,2-a:3,4-a']dicyclopenten-1-yl]-2-methyl- [ACD/Index Name]
2-Methyl-6-[(1R,3aS,3bR,6aS,6bR)-3a-methyl-6-methylendecahydrocyclopenta[3,4]cyclobuta[1,2]cyclopenten-1-yl]-2-hepten-4-on [German] [ACD/IUPAC Name]
2-Methyl-6-[(1R,3aS,3bR,6aS,6bR)-3a-methyl-6-methylenedecahydrocyclopenta[3,4]cyclobuta[1,2]cyclopenten-1-yl]-2-hepten-4-one [ACD/IUPAC Name]
2-Méthyl-6-[(1R,3aS,3bR,6aS,6bR)-3a-méthyl-6-méthylènedécahydrocyclopenta[3,4]cyclobuta[1,2]cyclopentén-1-yl]-2-heptén-4-one [French] [ACD/IUPAC Name]
lobophytumin E
2-methyl-6-[(1R,3aS,3bR,6aS,6bR)-3a-methyl-6-methylidenedecahydrocyclobuta[1,2-a:3,4-a']dicyclopenten-1-yl]hept-2-en-4-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 383.1±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 174.4±12.5 °C
Index of Refraction: 1.517
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13048.08
ACD/KOC (pH 5.5): 30725.32
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13048.08
ACD/KOC (pH 7.4): 30725.32
Polar Surface Area: 17 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 34.6±5.0 dyne/cm
Molar Volume: 289.9±5.0 cm3

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