ChemSpider 2D Image | (2R,4R,4aR,6R)-6-Isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenol | C15H24O

(2R,4R,4aR,6R)-6-Isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenol

  • Molecular FormulaC15H24O
  • Average mass220.350 Da
  • Monoisotopic mass220.182709 Da
  • ChemSpider ID76963350

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4R,4aR,6R)-6-Isopropényl-4,4a-diméthyl-2,3,4,4a,5,6,7,8-octahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(2R,4R,4aR,6R)-6-Isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenol [ACD/IUPAC Name]
(2R,4R,4aR,6R)-6-Isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalinol [German] [ACD/IUPAC Name]
2-Naphthalenol, 2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (2R,4R,4aR,6R)- [ACD/Index Name]
(2R,4R,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol
2β(OH)EE
4-epi-eremophilene-2β-ol
  • Miscellaneous

    • Chemical Class:

      A 6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol that is (-)-4-epi-eremophilene in which the 2-pro-R hydrogen has been replaced by a hydroxy group. ChEBI CHEBI:142084
      A 6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol that is (-)-4-epi-eremophilene in which the 2-pro-R hydrogen has been replaced; by a hydroxy group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142084

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

Density: 1.0±0.1 g/cm3
Boiling Point: 316.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.7±6.0 kJ/mol
Flash Point: 131.2±20.1 °C
Index of Refraction: 1.513
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1384.74
ACD/KOC (pH 5.5): 6168.65
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1384.74
ACD/KOC (pH 7.4): 6168.65
Polar Surface Area: 20 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 34.3±5.0 dyne/cm
Molar Volume: 226.6±5.0 cm3

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