ChemSpider 2D Image | (2S)-6-Methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-5-hepten-2-ol | C15H26O

(2S)-6-Methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-5-hepten-2-ol

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID77452130

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-6-Methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-5-hepten-2-ol [German] [ACD/IUPAC Name]
(2S)-6-Methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-5-hepten-2-ol [ACD/IUPAC Name]
(2S)-6-Méthyl-2-[(1R)-4-méthyl-3-cyclohexén-1-yl]-5-heptén-2-ol [French] [ACD/IUPAC Name]
3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-, (αS,1R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 314.5±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.4±6.0 kJ/mol
Flash Point: 113.2±15.6 °C
Index of Refraction: 1.494
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2217.67
ACD/KOC (pH 5.5): 8641.50
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2217.67
ACD/KOC (pH 7.4): 8641.50
Polar Surface Area: 20 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 240.9±3.0 cm3

Click to predict properties on the Chemicalize site


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