ChemSpider 2D Image | 1H-indene-4-methanol, 1-(1,5-dimethylhexyl)octahydro-4,7a-dimethyl-, (1R,7aR)- | C20H38O

1H-indene-4-methanol, 1-(1,5-dimethylhexyl)octahydro-4,7a-dimethyl-, (1R,7aR)-

  • Molecular FormulaC20H38O
  • Average mass294.515 Da
  • Monoisotopic mass294.292267 Da
  • ChemSpider ID23248876

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

[(1R,7aR)-4,7a-dimethyl-1-(6-methylheptan-2-yl)octahydro-1H-inden-4-yl]methanol
{(1R,7aR)-4,7a-Dimethyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-yl}methanol [German] [ACD/IUPAC Name]
{(1R,7aR)-4,7a-Dimethyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-yl}methanol [ACD/IUPAC Name]
{(1R,7aR)-4,7a-Diméthyl-1-[(2R)-6-méthyl-2-heptanyl]octahydro-1H-indén-4-yl}méthanol [French] [ACD/IUPAC Name]
1H-indene-4-methanol, 1-(1,5-dimethylhexyl)octahydro-4,7a-dimethyl-, (1R,7aR)-
1H-Indene-4-methanol, 1-[(1R)-1,5-dimethylhexyl]octahydro-4,7a-dimethyl-, (1R,7aR)- [ACD/Index Name]
[(1R,7aR)-4,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-yl]methanol
1-(1,5-dimethylhexyl)-4,7a-dimethylperhydro-4-indenylmethanol
CHEMBL181052

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

Density: 0.9±0.1 g/cm3
Boiling Point: 352.6±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.2±6.0 kJ/mol
Flash Point: 161.6±9.1 °C
Index of Refraction: 1.474
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 70988.61
ACD/KOC (pH 5.5): 103290.76
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 70988.61
ACD/KOC (pH 7.4): 103290.76
Polar Surface Area: 20 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 327.5±3.0 cm3

Click to predict properties on the Chemicalize site


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