ChemSpider 2D Image | (8R,9S,14S)-13-Ethyl-3-methoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name) | C20H28O2

(8R,9S,14S)-13-Ethyl-3-methoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name)

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID58801765

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(8R,9S,14S)-13-Ethyl-3-methoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydro-17H-cyclopenta[a]phenanthren-17-on (non-preferred name) [German] [ACD/IUPAC Name]
(8R,9S,14S)-13-Ethyl-3-methoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name) [ACD/IUPAC Name]
(8R,9S,14S)-13-Éthyl-3-méthoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodécahydro-17H-cyclopenta[a]phénanthrén-17-one (non-preferred name) [French] [ACD/IUPAC Name]
(8R,9S,14S)-13-ethyl-3-methoxy-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
13-β-Ethyl-3-methoxy-gona-2,5(10)-dien-17-one
2322-77-2 [RN]
max lmg
Methoxydienone
MFCD08457893 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 448.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 188.8±22.3 °C
Index of Refraction: 1.551
Molar Refractivity: 87.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 832.83
ACD/KOC (pH 5.5): 4286.81
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 832.83
ACD/KOC (pH 7.4): 4286.81
Polar Surface Area: 26 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 273.9±5.0 cm3

Click to predict properties on the Chemicalize site


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