ChemSpider 2D Image | Diethylstilbestrol dipalmitate | C50H80O4

Diethylstilbestrol dipalmitate

  • Molecular FormulaC50H80O4
  • Average mass745.168 Da
  • Monoisotopic mass744.605652 Da
  • ChemSpider ID2298951
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-3-Hexen-3,4-diyldi-4,1-phenylen-dihexadecanoat [German] [ACD/IUPAC Name]
(3E)-3-Hexene-3,4-diyldi-4,1-phenylene dihexadecanoate [ACD/IUPAC Name]
6533-53-5 [RN]
Diethylstilbestrol dipalmitate
Dihexadécanoate de (3E)-3-hexène-3,4-diyldi-4,1-phénylène [French] [ACD/IUPAC Name]
Hexadecanoic acid, [(E)-1,2-diethyl-1,2-ethenediyl]di-4,1-phenylene ester [ACD/Index Name]
[4-[(E)-1-ethyl-2-(4-hexadecanoyloxyphenyl)but-1-enyl]phenyl] hexadecanoate
[4-[(E)-4-(4-hexadecanoyloxyphenyl)hex-3-en-3-yl]phenyl] hexadecanoate
[4-[1-ethyl-2-(4-hexadecanoyloxyphenyl)but-1-enyl]phenyl] hexadecanoate
[4-[4-(4-hexadecanoyloxyphenyl)hex-3-en-3-yl]phenyl] hexadecanoate
More...

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

86291XW83U [DBID]
BRN 3190445 [DBID]
NSC60679 [DBID]
UNII:86291XW83U [DBID]
UNII-86291XW83U [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 757.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 364.0±25.7 °C
Index of Refraction: 1.504
Molar Refractivity: 231.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 20.75
ACD/LogD (pH 5.5): 18.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 91.9±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 782.8±3.0 cm3

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