ChemSpider 2D Image | 4alpha-methyl-5alpha-cholest-8-en-3-one | C28H46O

4α-methyl-5α-cholest-8-en-3-one

  • Molecular FormulaC28H46O
  • Average mass398.664 Da
  • Monoisotopic mass398.354858 Da
  • ChemSpider ID24850087

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4α,5α)-4-Methylcholest-8-en-3-on [German] [ACD/IUPAC Name]
(4α,5α)-4-Methylcholest-8-en-3-one [ACD/IUPAC Name]
(4α,5α)-4-Méthylcholest-8-én-3-one [French] [ACD/IUPAC Name]
4α-methyl-5α-cholest-8-en-3-one
Cholest-8-en-3-one, 4-methyl-, (4α,5α)- [ACD/Index Name]
(2S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-1(10)-en-5-one
4&α
4&α;-methyl-5&α;-cholesta-8-en-3-one
4??-methyl-5??-cholesta-8-en-3-one
4α-methyl-5α-cholesta-8-en-3-one
More...

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 485.7±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 203.2±23.4 °C
Index of Refraction: 1.517
Molar Refractivity: 123.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.89
ACD/LogD (pH 5.5): 8.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 952267.19
ACD/LogD (pH 7.4): 8.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 952267.19
Polar Surface Area: 17 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 36.6±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

Click to predict properties on the Chemicalize site


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