ChemSpider 2D Image | (1R,3S,4R,4aR,6R)-6-Isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-naphthalenediol | C15H24O2

(1R,3S,4R,4aR,6R)-6-Isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-naphthalenediol

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID58843187

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,3S,4R,4aR,6R)-6-Isopropényl-4,4a-diméthyl-1,2,3,4,4a,5,6,7-octahydro-1,3-naphtalènediol [French] [ACD/IUPAC Name]
(1R,3S,4R,4aR,6R)-6-Isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-naphthalenediol [ACD/IUPAC Name]
(1R,3S,4R,4aR,6R)-6-Isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-naphthalindiol [German] [ACD/IUPAC Name]
1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (1R,3S,4R,4aR,6R)- [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: 365.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.8±6.0 kJ/mol
Flash Point: 168.0±22.5 °C
Index of Refraction: 1.532
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.73
ACD/KOC (pH 5.5): 1520.44
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.73
ACD/KOC (pH 7.4): 1520.44
Polar Surface Area: 40 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 224.6±5.0 cm3

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