ChemSpider 2D Image | (3S,3aR,5aR,8aR)-3,3a,5-Trimethyl-5a-(~2~H_1_)methyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene | C15H23D

(3S,3aR,5aR,8aR)-3,3a,5-Trimethyl-5a-(2H1)methyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene

  • Molecular FormulaC15H23D
  • Average mass205.357 Da
  • Monoisotopic mass205.194077 Da
  • ChemSpider ID9768431
  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3S,3aR,5aR,8aR)-3,3a,5-Trimethyl-5a-(2H1)methyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalen [German] [ACD/IUPAC Name]
(3S,3aR,5aR,8aR)-3,3a,5-Trimethyl-5a-(2H1)methyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene [ACD/IUPAC Name]
(3S,3aR,5aR,8aR)-3,3a,5-Triméthyl-5a-(2H1)méthyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalène [French] [ACD/IUPAC Name]
Cyclopenta[c]pentalene, 1,2,3,3a,5a,6,7,8-octahydro-3,3a,5-trimethyl-5a-(methyl-d)-, (3S,3aR,5aR,8aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 254.9±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 47.2±0.8 kJ/mol
Flash Point: 104.8±6.6 °C
Index of Refraction: 1.518
Molar Refractivity: 65.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14346.78
ACD/KOC (pH 5.5): 32884.60
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14346.78
ACD/KOC (pH 7.4): 32884.60
Polar Surface Area: 0 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 32.6±5.0 dyne/cm
Molar Volume: 214.7±5.0 cm3

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