ChemSpider 2D Image | [(1S,4aS,4bR,10aS,12aS)-4b,7,7,10a,12a-Pentamethyl-2-methyleneoctadecahydro-1-chrysenyl]methanol | C25H42O

[(1S,4aS,4bR,10aS,12aS)-4b,7,7,10a,12a-Pentamethyl-2-methyleneoctadecahydro-1-chrysenyl]methanol

  • Molecular FormulaC25H42O
  • Average mass358.600 Da
  • Monoisotopic mass358.323578 Da
  • ChemSpider ID58829894

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

[(1S,4aS,4bR,10aS,12aS)-4b,7,7,10a,12a-Pentamethyl-2-methyleneoctadecahydro-1-chrysenyl]methanol [ACD/IUPAC Name]
[(1S,4aS,4bR,10aS,12aS)-4b,7,7,10a,12a-Pentaméthyl-2-méthylèneoctadécahydro-1-chrysényl]méthanol [French] [ACD/IUPAC Name]
[(1S,4aS,4bR,10aS,12aS)-4b,7,7,10a,12a-Pentamethyl-2-methylenoctadecahydro-1-chrysenyl]methanol [German] [ACD/IUPAC Name]
1-Chrysenemethanol, octadecahydro-4b,7,7,10a,12a-pentamethyl-2-methylene-, (1S,4aS,4bR,10aS,12aS)- [ACD/Index Name]
scalar-17(25)-en-19-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 435.8±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 132.0±16.4 °C
Index of Refraction: 1.527
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 8.12
ACD/BCF (pH 5.5): 869548.63
ACD/KOC (pH 5.5): 620748.00
ACD/LogD (pH 7.4): 8.12
ACD/BCF (pH 7.4): 869548.63
ACD/KOC (pH 7.4): 620748.00
Polar Surface Area: 20 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 37.8±5.0 dyne/cm
Molar Volume: 360.1±5.0 cm3

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