ChemSpider 2D Image | 18-Methyl-estrone | C19H24O2

18-Methyl-estrone

  • Molecular FormulaC19H24O2
  • Average mass284.393 Da
  • Monoisotopic mass284.177643 Da
  • ChemSpider ID23345965

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8R,9S,13S,14S)-13-Ethyl-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-on [German] [ACD/IUPAC Name]
(8R,9S,13S,14S)-13-Ethyl-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one [ACD/IUPAC Name]
(8R,9S,13S,14S)-13-Éthyl-3-hydroxy-6,7,8,9,11,12,13,14,15,16-décahydro-17H-cyclopenta[a]phénanthrén-17-one [French] [ACD/IUPAC Name]
(8R,9S,13S,14S)-13-Ethyl-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name)
18-Methyl-estrone
6544-68-9 [RN]
(8R,9S,13S,14S)-13-ethyl-3-hydroxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
[6544-68-9] [RN]
18a-Methylestrone
MFCD08457891

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

Density: 1.1±0.1 g/cm3
Boiling Point: 456.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 194.3±21.3 °C
Index of Refraction: 1.576
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 393.12
ACD/KOC (pH 5.5): 2504.73
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 392.57
ACD/KOC (pH 7.4): 2501.24
Polar Surface Area: 37 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 249.7±3.0 cm3

Click to predict properties on the Chemicalize site


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