ChemSpider 2D Image | 3-(Cyclopentyloxy)-17-(1,3-hexadiyn-1-yl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol | C29H36O2

3-(Cyclopentyloxy)-17-(1,3-hexadiyn-1-yl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol

  • Molecular FormulaC29H36O2
  • Average mass416.595 Da
  • Monoisotopic mass416.271515 Da
  • ChemSpider ID28586439

More details:

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

3-(Cyclopentyloxy)-17-(1,3-hexadiin-1-yl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol [German] [ACD/IUPAC Name]
3-(Cyclopentyloxy)-17-(1,3-hexadiyn-1-yl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol [ACD/IUPAC Name]
3-(Cyclopentyloxy)-17-(1,3-hexadiyn-1-yl)-13-méthyl-7,8,9,11,12,13,14,15,16,17-décahydro-6H-cyclopenta[a]phénanthrén-17-ol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-ol, 3-(cyclopentyloxy)-17-(1,3-hexadiyn-1-yl)- [ACD/Index Name]
3-(cyclopentyloxy)-17-(hexa-1,3-diyn-1-yl)estra-1,3,5(10)-trien-17-ol
5417-52-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 586.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 264.0±24.4 °C
Index of Refraction: 1.602
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.45
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 206225.80
ACD/KOC (pH 5.5): 221606.50
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 206222.63
ACD/KOC (pH 7.4): 221603.09
Polar Surface Area: 29 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 362.2±5.0 cm3

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