ChemSpider 2D Image | (5aR)-10a,12a-Dimethyl-1-[(2R)-6-methyl-2-heptanyl]octadecahydrocyclohepta[a]cyclopenta[f]naphthalene | C28H50

(5aR)-10a,12a-Dimethyl-1-[(2R)-6-methyl-2-heptanyl]octadecahydrocyclohepta[a]cyclopenta[f]naphthalene

  • Molecular FormulaC28H50
  • Average mass386.697 Da
  • Monoisotopic mass386.391266 Da
  • ChemSpider ID22889618
  • defined stereocentres - 2 of 8 defined stereocentres


More details:






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

(5aR)-10a,12a-Diméthyl-1-[(2R)-6-méthyl-2-heptanyl]octadécahydrocyclohepta[a]cyclopenta[f]naphtalène [French] [ACD/IUPAC Name]
(5aR)-10a,12a-Dimethyl-1-[(2R)-6-methyl-2-heptanyl]octadecahydrocyclohepta[a]cyclopenta[f]naphthalene [ACD/IUPAC Name]
(5aR)-10a,12a-Dimethyl-1-[(2R)-6-methyl-2-heptanyl]octadecahydrocyclohepta[a]cyclopenta[f]naphthalin [German] [ACD/IUPAC Name]
Cyclohepta[a]cyclopenta[f]naphthalene, 1-[(1R)-1,5-dimethylhexyl]octadecahydro-10a,12a-dimethyl-, (5aR)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 455.6±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 68.8±0.8 kJ/mol
Flash Point: 218.5±13.1 °C
Index of Refraction: 1.490
Molar Refractivity: 123.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 12.83
ACD/LogD (pH 5.5): 11.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 426.9±3.0 cm3

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