ChemSpider 2D Image | (3E)-6-[(2S,4aR,8aR)-4a,8-Dimethyl-1,2,3,4,4a,8a-hexahydro-2-naphthalenyl]-2-methyl-3,6-heptadien-2-ol | C20H30O

(3E)-6-[(2S,4aR,8aR)-4a,8-Dimethyl-1,2,3,4,4a,8a-hexahydro-2-naphthalenyl]-2-methyl-3,6-heptadien-2-ol

  • Molecular FormulaC20H30O
  • Average mass286.452 Da
  • Monoisotopic mass286.229675 Da
  • ChemSpider ID25031848

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3E)-6-[(2S,4aR,8aR)-4a,8-Diméthyl-1,2,3,4,4a,8a-hexahydro-2-naphtalényl]-2-méthyl-3,6-heptadién-2-ol [French] [ACD/IUPAC Name]
(3E)-6-[(2S,4aR,8aR)-4a,8-Dimethyl-1,2,3,4,4a,8a-hexahydro-2-naphthalenyl]-2-methyl-3,6-heptadien-2-ol [ACD/IUPAC Name]
(3E)-6-[(2S,4aR,8aR)-4a,8-Dimethyl-1,2,3,4,4a,8a-hexahydro-2-naphthalinyl]-2-methyl-3,6-heptadien-2-ol [German] [ACD/IUPAC Name]
3,6-Heptadien-2-ol, 6-[(2S,4aR,8aR)-1,2,3,4,4a,8a-hexahydro-4a,8-dimethyl-2-naphthalenyl]-2-methyl-, (3E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 398.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.1±6.0 kJ/mol
Flash Point: 138.1±24.2 °C
Index of Refraction: 1.523
Molar Refractivity: 90.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20779.75
ACD/KOC (pH 5.5): 42869.96
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20779.75
ACD/KOC (pH 7.4): 42869.96
Polar Surface Area: 20 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 297.0±3.0 cm3

Click to predict properties on the Chemicalize site


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