ChemSpider 2D Image | 2-{(1R,3aS,4S,7aR)-7a-Methyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-yl}ethanol | C20H38O

2-{(1R,3aS,4S,7aR)-7a-Methyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-yl}ethanol

  • Molecular FormulaC20H38O
  • Average mass294.515 Da
  • Monoisotopic mass294.292267 Da
  • ChemSpider ID58988304

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1H-Indene-4-ethanol, 1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-, (1R,3aS,4S,7aR)- [ACD/Index Name]
2-{(1R,3aS,4S,7aR)-7a-Methyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-yl}ethanol [German] [ACD/IUPAC Name]
2-{(1R,3aS,4S,7aR)-7a-Methyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-yl}ethanol [ACD/IUPAC Name]
2-{(1R,3aS,4S,7aR)-7a-Méthyl-1-[(2R)-6-méthyl-2-heptanyl]octahydro-1H-indén-4-yl}éthanol [French] [ACD/IUPAC 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: 359.8±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.1±6.0 kJ/mol
Flash Point: 165.8±9.1 °C
Index of Refraction: 1.477
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79791.84
ACD/KOC (pH 5.5): 112305.67
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79791.84
ACD/KOC (pH 7.4): 112305.67
Polar Surface Area: 20 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 325.5±3.0 cm3

Click to predict properties on the Chemicalize site


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