ChemSpider 2D Image | leubethanol | C20H30O

leubethanol

  • Molecular FormulaC20H30O
  • Average mass286.452 Da
  • Monoisotopic mass286.229675 Da
  • ChemSpider ID26617438

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5S,8R)-3,8-Diméthyl-5-[(2S)-6-méthyl-5-heptén-2-yl]-5,6,7,8-tétrahydro-1-naphtalénol [French] [ACD/IUPAC Name]
(5S,8R)-3,8-Dimethyl-5-[(2S)-6-methyl-5-hepten-2-yl]-5,6,7,8-tetrahydro-1-naphthalenol [ACD/IUPAC Name]
(5S,8R)-3,8-Dimethyl-5-[(2S)-6-methyl-5-hepten-2-yl]-5,6,7,8-tetrahydro-1-naphthalinol [German] [ACD/IUPAC Name]
1-Naphthalenol, 5-[(1S)-1,5-dimethyl-4-hexen-1-yl]-5,6,7,8-tetrahydro-3,8-dimethyl-, (5S,8R)- [ACD/Index Name]
leubethanol
(5S,8R)-3,8-Dimethyl-5-[(2S)-6-methyl-5-hepten-2-yl]-5,6,7,8-tetrahydro-1-naphthalinol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 362.4±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 163.4±11.7 °C
Index of Refraction: 1.523
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 180662.05
ACD/KOC (pH 5.5): 201576.78
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 180570.44
ACD/KOC (pH 7.4): 201474.55
Polar Surface Area: 20 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

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