ChemSpider 2D Image | (3R,3aR,5aS,5bR,8S,8aS,9aS,9bS)-3a,5b-Dimethyl-8-(~2~H_1_)methyl-3-[(2R)-6-methyl-2-heptanyl]tetradecahydro-8aH-cyclopenta[b]-as-indacene-8a-carbaldehyde | C27H45DO

(3R,3aR,5aS,5bR,8S,8aS,9aS,9bS)-3a,5b-Dimethyl-8-(2H1)methyl-3-[(2R)-6-methyl-2-heptanyl]tetradecahydro-8aH-cyclopenta[b]-as-indacene-8a-carbaldehyde

  • Molecular FormulaC27H45DO
  • Average mass387.660 Da
  • Monoisotopic mass387.361145 Da
  • ChemSpider ID8637004

  • defined stereocentres - 9 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,3aR,5aS,5bR,8S,8aS,9aS,9bS)-3a,5b-Dimethyl-8-(2H1)methyl-3-[(2R)-6-methyl-2-heptanyl]tetradecahydro-8aH-cyclopenta[b]-as-indacene-8a-carbaldehyde [ACD/IUPAC Name]
8aH-Cyclopent[b]-as-indacene-8a-carboxaldehyde, 3-[(1R)-1,5-dimethylhexyl]tetradecahydro-3a,5b-dimethyl-8-(methyl-d)-, (3R,3aR,5aS,5bR,8S,8aS,9aS,9bS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 451.3±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 161.9±12.6 °C
Index of Refraction: 1.523
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 10.13
ACD/LogD (pH 5.5): 9.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2675855.00
ACD/LogD (pH 7.4): 9.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2675855.00
Polar Surface Area: 17 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 395.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement