ChemSpider 2D Image | (17beta)-3-Oxoestr-4-en-17-yl (3E,7E)-4,8,12-trimethyl-3,7,12-tridecatrienoate | C34H50O3

(17β)-3-Oxoestr-4-en-17-yl (3E,7E)-4,8,12-trimethyl-3,7,12-tridecatrienoate

  • Molecular FormulaC34H50O3
  • Average mass506.759 Da
  • Monoisotopic mass506.376007 Da
  • ChemSpider ID4939188

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(17β)-3-Oxoestr-4-en-17-yl (3E,7E)-4,8,12-trimethyl-3,7,12-tridecatrienoate [ACD/IUPAC Name]
(17β)-3-Oxoestr-4-en-17-yl-(3E,7E)-4,8,12-trimethyl-3,7,12-tridecatrienoat [German] [ACD/IUPAC Name]
(3E,7E)-4,8,12-Triméthyl-3,7,12-tridécatriénoate de (17β)-3-oxoestr-4-én-17-yle [French] [ACD/IUPAC Name]
3,7,12-Tridecatrienoic acid, 4,8,12-trimethyl-, (17β)-3-oxoestr-4-en-17-yl ester, (3E,7E)- [ACD/Index Name]
(17-β)-17-((1-Oxo-4,8,12-trimethyl-3,7,11-tridecatrienyl)oxy)estr-4-en-3-one
19-Nortestosterone homofarnesate
38911-59-0 [RN]
ESTR-4-EN-3-ONE, 17-((1-OXO-4,8,12-TRIMETHYL-3,7,11-TRIDECATRIENYL)OXY)-, (17-be
Estr-4-en-3-one, 17-((1-oxo-4,8,12-trimethyl-3,7,11-tridecatrienyl)oxy)-, (17-β)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 611.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 253.0±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.13
ACD/LogD (pH 5.5): 8.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1498378.38
ACD/LogD (pH 7.4): 8.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1498378.38
Polar Surface Area: 43 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 486.4±5.0 cm3

Click to predict properties on the Chemicalize site


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