ChemSpider 2D Image | (17β)-10-Ethenyl-3-methylestra-3,5-dien-17-ol | C21H30O

(17β)-10-Ethenyl-3-methylestra-3,5-dien-17-ol

  • Molecular FormulaC21H30O
  • Average mass298.462 Da
  • Monoisotopic mass298.229675 Da
  • ChemSpider ID23306322

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(17β)-10-Ethenyl-3-methylestra-3,5-dien-17-ol
(8R,9S,10S,13S,14S,17S)-10-ethenyl-3,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name)
(8R,9S,10S,13S,14S,17S)-3,13-Dimethyl-10-vinyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol [ACD/IUPAC Name]
(8R,9S,10S,13S,14S,17S)-3,13-Dimethyl-10-vinyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol [German] [ACD/IUPAC Name]
(8R,9S,10S,13S,14S,17S)-3,13-Diméthyl-10-vinyl-2,7,8,9,10,11,12,13,14,15,16,17-dodécahydro-1H-cyclopenta[a]phénanthrén-17-ol [French] [ACD/IUPAC Name]
871840-07-2 [RN]
CHEMBL398456
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398456/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 421.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±6.0 kJ/mol
Flash Point: 174.3±21.0 °C
Index of Refraction: 1.566
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5180.52
ACD/KOC (pH 5.5): 15861.37
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5180.52
ACD/KOC (pH 7.4): 15861.37
Polar Surface Area: 20 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 281.0±5.0 cm3

Click to predict properties on the Chemicalize site


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