ChemSpider 2D Image | (3aS,3bR,5aR,6R,8aS,8bS,10aS)-3a,5a-Dimethyl-6-[(2R)-5-methyl-2-hexanyl]tetradecahydrodicyclopenta[a,f]naphthalen-2(1H)-one | C25H42O

(3aS,3bR,5aR,6R,8aS,8bS,10aS)-3a,5a-Dimethyl-6-[(2R)-5-methyl-2-hexanyl]tetradecahydrodicyclopenta[a,f]naphthalen-2(1H)-one

  • Molecular FormulaC25H42O
  • Average mass358.600 Da
  • Monoisotopic mass358.323578 Da
  • ChemSpider ID62653801
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3aS,3bR,5aR,6R,8aS,8bS,10aS)-3a,5a-Diméthyl-6-[(2R)-5-méthyl-2-hexanyl]tétradécahydrodicyclopenta[a,f]naphtalén-2(1H)-one [French] [ACD/IUPAC Name]
(3aS,3bR,5aR,6R,8aS,8bS,10aS)-3a,5a-Dimethyl-6-[(2R)-5-methyl-2-hexanyl]tetradecahydrodicyclopenta[a,f]naphthalen-2(1H)-one [ACD/IUPAC Name]
(3aS,3bR,5aR,6R,8aS,8bS,10aS)-3a,5a-Dimethyl-6-[(2R)-5-methyl-2-hexanyl]tetradecahydrodicyclopenta[a,f]naphthalin-2(1H)-on [German] [ACD/IUPAC Name]
Dicyclopenta[a,f]naphthalen-2(1H)-one, 6-[(1R)-1,4-dimethylpentyl]tetradecahydro-3a,5a-dimethyl-, (3aS,3bR,5aR,6R,8aS,8bS,10aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 427.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 204.2±12.1 °C
Index of Refraction: 1.502
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 654062.13
ACD/KOC (pH 5.5): 506279.72
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 654062.13
ACD/KOC (pH 7.4): 506279.72
Polar Surface Area: 17 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 371.4±3.0 cm3

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