ChemSpider 2D Image | (5aS,5bS,7aR,8R,10aS,10bR,12aS)-5a,7a-Dimethyl-8-[(2R)-6-methyl-2-heptanyl]octadecahydrocyclopenta[5,6]naphtho[1,2-d]azepine | C27H49N

(5aS,5bS,7aR,8R,10aS,10bR,12aS)-5a,7a-Dimethyl-8-[(2R)-6-methyl-2-heptanyl]octadecahydrocyclopenta[5,6]naphtho[1,2-d]azepine

  • Molecular FormulaC27H49N
  • Average mass387.685 Da
  • Monoisotopic mass387.386505 Da
  • ChemSpider ID30820492

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5aS,5bS,7aR,8R,10aS,10bR,12aS)-5a,7a-Dimethyl-8-[(2R)-6-methyl-2-heptanyl]octadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin [German] [ACD/IUPAC Name]
(5aS,5bS,7aR,8R,10aS,10bR,12aS)-5a,7a-Dimethyl-8-[(2R)-6-methyl-2-heptanyl]octadecahydrocyclopenta[5,6]naphtho[1,2-d]azepine [ACD/IUPAC Name]
(5aS,5bS,7aR,8R,10aS,10bR,12aS)-5a,7a-Diméthyl-8-[(2R)-6-méthyl-2-heptanyl]octadécahydrocyclopenta[5,6]naphto[1,2-d]azépine [French] [ACD/IUPAC Name]
Cyclopenta[5,6]naphth[1,2-d]azepine, 8-[(1R)-1,5-dimethylhexyl]octadecahydro-5a,7a-dimethyl-, (5aS,5bS,7aR,8R,10aS,10bR,12aS)- [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: 463.9±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 236.5±15.6 °C
Index of Refraction: 1.489
Molar Refractivity: 122.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.37
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 8465.68
ACD/KOC (pH 5.5): 2965.26
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 9028.02
ACD/KOC (pH 7.4): 3162.23
Polar Surface Area: 12 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 422.9±3.0 cm3

Click to predict properties on the Chemicalize site


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