ChemSpider 2D Image | (5R,8R)-1,12-Dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene-5,8-diyl didodecanoate | C44H66O4

(5R,8R)-1,12-Dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene-5,8-diyl didodecanoate

  • Molecular FormulaC44H66O4
  • Average mass658.992 Da
  • Monoisotopic mass658.496094 Da
  • ChemSpider ID8922235

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5R,8R)-1,12-Dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthren-5,8-diyl-didodecanoat [German] [ACD/IUPAC Name]
(5R,8R)-1,12-Dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene-5,8-diyl didodecanoate [ACD/IUPAC Name]
Didodécanoate de (5R,8R)-1,12-diméthyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phénanthrène-5,8-diyle [French] [ACD/IUPAC Name]
Dodecanoic acid, (5R,8R)-5,6,6a,7,8,12b-hexahydro-1,12-dimethylbenzo[c]phenanthrene-5,8-diyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 707.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 342.7±31.3 °C
Index of Refraction: 1.538
Molar Refractivity: 199.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 15.38
ACD/LogD (pH 5.5): 15.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 79.0±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 636.4±5.0 cm3

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