Found 12 results

Search term: MF = 'C_{40}H_{66}O_{4}'
ChemSpider 2D Image | Decyl (3beta)-3-hydroxy-11-oxoolean-12-en-30-oate | C40H66O4

Decyl (3β)-3-hydroxy-11-oxoolean-12-en-30-oate

  • Molecular FormulaC40H66O4
  • Average mass610.950 Da
  • Monoisotopic mass610.496094 Da
  • ChemSpider ID28530974

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-Hydroxy-11-oxooléan-12-én-30-oate de décyle [French] [ACD/IUPAC Name]
Decyl (3β)-3-hydroxy-11-oxoolean-12-en-30-oate [ACD/IUPAC Name]
Decyl-(3β)-3-hydroxy-11-oxoolean-12-en-30-oat [German] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-hydroxy-11-oxo-, decyl ester, (3β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 654.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 186.8±25.0 °C
Index of Refraction: 1.533
Molar Refractivity: 180.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 11.78
ACD/LogD (pH 5.5): 11.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 64 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 581.0±5.0 cm3

Click to predict properties on the Chemicalize site


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