ChemSpider 2D Image | (2S,3aR,4S,6R,8S,8aR)-2,8-Dihydroxy-3a,6-dimethyl-4-(2-methyl-1-propen-1-yl)octahydro-5H-cyclohepta[b]furan-5-one | C15H24O4

(2S,3aR,4S,6R,8S,8aR)-2,8-Dihydroxy-3a,6-dimethyl-4-(2-methyl-1-propen-1-yl)octahydro-5H-cyclohepta[b]furan-5-one

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID28286894

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2S,3aR,4S,6R,8S,8aR)-2,8-Dihydroxy-3a,6-dimethyl-4-(2-methyl-1-propen-1-yl)octahydro-5H-cyclohepta[b]furan-5-on [German] [ACD/IUPAC Name]
(2S,3aR,4S,6R,8S,8aR)-2,8-Dihydroxy-3a,6-dimethyl-4-(2-methyl-1-propen-1-yl)octahydro-5H-cyclohepta[b]furan-5-one [ACD/IUPAC Name]
(2S,3aR,4S,6R,8S,8aR)-2,8-Dihydroxy-3a,6-diméthyl-4-(2-méthyl-1-propén-1-yl)octahydro-5H-cyclohepta[b]furan-5-one [French] [ACD/IUPAC Name]
5H-Cyclohepta[b]furan-5-one, octahydro-2,8-dihydroxy-3a,6-dimethyl-4-(2-methyl-1-propen-1-yl)-, (2S,3aR,4S,6R,8S,8aR)- [ACD/Index Name]
mitissimolone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 427.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±6.0 kJ/mol
Flash Point: 155.1±22.2 °C
Index of Refraction: 1.566
Molar Refractivity: 74.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.55
ACD/KOC (pH 5.5): 102.89
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.55
ACD/KOC (pH 7.4): 102.89
Polar Surface Area: 67 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 226.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement