ChemSpider 2D Image | (1R,4R,5aS,7S,9aS)-1,4-Dihydroxy-7,9a-dimethyl-6-methylene-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one | C15H20O4

(1R,4R,5aS,7S,9aS)-1,4-Dihydroxy-7,9a-dimethyl-6-methylene-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID24846705

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,4R,5aS,7S,9aS)-1,4-Dihydroxy-7,9a-dimethyl-6-methylen-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-on [German] [ACD/IUPAC Name]
(1R,4R,5aS,7S,9aS)-1,4-Dihydroxy-7,9a-dimethyl-6-methylene-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one [ACD/IUPAC Name]
(1R,4R,5aS,7S,9aS)-1,4-Dihydroxy-7,9a-diméthyl-6-méthylène-4,5,5a,6,7,8,9,9a-octahydronaphto[1,2-c]furan-3(1H)-one [French] [ACD/IUPAC Name]
Naphtho[1,2-c]furan-3(1H)-one, 4,5,5a,6,7,8,9,9a-octahydro-1,4-dihydroxy-7,9a-dimethyl-6-methylene-, (1R,4R,5aS,7S,9aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 493.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.6±6.0 kJ/mol
Flash Point: 187.4±22.2 °C
Index of Refraction: 1.577
Molar Refractivity: 69.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.88
ACD/KOC (pH 5.5): 166.19
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.88
ACD/KOC (pH 7.4): 166.09
Polar Surface Area: 67 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 208.9±5.0 cm3

Click to predict properties on the Chemicalize site


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