ChemSpider 2D Image | {(1S,3aR,3bS,5aR,6R,8aS,8bS,10aS)-6-[(2R)-5-Ethyl-6-methyl-2-heptanyl]-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-1-yl}methanol | C29H52O

{(1S,3aR,3bS,5aR,6R,8aS,8bS,10aS)-6-[(2R)-5-Ethyl-6-methyl-2-heptanyl]-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-1-yl}methanol

  • Molecular FormulaC29H52O
  • Average mass416.723 Da
  • Monoisotopic mass416.401825 Da
  • ChemSpider ID29212492

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

{(1S,3aR,3bS,5aR,6R,8aS,8bS,10aS)-6-[(2R)-5-Éthyl-6-méthyl-2-heptanyl]-3a,5a-diméthylhexadécahydrodicyclopenta[a,f]naphtalén-1-yl}méthanol [French] [ACD/IUPAC Name]
{(1S,3aR,3bS,5aR,6R,8aS,8bS,10aS)-6-[(2R)-5-Ethyl-6-methyl-2-heptanyl]-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-1-yl}methanol [ACD/IUPAC Name]
{(1S,3aR,3bS,5aR,6R,8aS,8bS,10aS)-6-[(2R)-5-Ethyl-6-methyl-2-heptanyl]-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalin-1-yl}methanol [German] [ACD/IUPAC Name]
Dicyclopenta[a,f]naphthalene-1-methanol, 6-[(1R)-4-ethyl-1,5-dimethylhexyl]hexadecahydro-3a,5a-dimethyl-, (1S,3aR,3bS,5aR,6R,8aS,8bS,10aS)- [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: 471.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.7±6.0 kJ/mol
Flash Point: 218.2±10.0 °C
Index of Refraction: 1.496
Molar Refractivity: 129.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 11.06
ACD/LogD (pH 5.5): 10.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7415713.50
ACD/LogD (pH 7.4): 10.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7415713.50
Polar Surface Area: 20 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 443.4±3.0 cm3

Click to predict properties on the Chemicalize site


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