ChemSpider 2D Image | 5-[8,10-Dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethyl-2-cyclohexen-1-one | C26H48O5

5-[8,10-Dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethyl-2-cyclohexen-1-one

  • Molecular FormulaC26H48O5
  • Average mass440.656 Da
  • Monoisotopic mass440.350189 Da
  • ChemSpider ID35013084

More details:

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

2-Cyclohexen-1-one, 5-[8,10-dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethyl- [ACD/Index Name]
5-[8,10-Dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
5-[8,10-Dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethyl-2-cyclohexen-1-one [ACD/IUPAC Name]
5-[8,10-Dihydroxy-11-(hydroxyméthyl)-4,7-diméthyltridécyl]-6-éthyl-4-hydroxy-4,5-diméthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
6-ethyl-5-(11-ethyl-8,10,12-trihydroxy-4,7-dimethyldodecyl)-4-hydroxy-4,5-dimethylcyclohex-2-en-1-one
Momordol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 601.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 331.5±28.0 °C
Index of Refraction: 1.497
Molar Refractivity: 126.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 544.26
ACD/KOC (pH 5.5): 3161.52
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 544.26
ACD/KOC (pH 7.4): 3161.52
Polar Surface Area: 98 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 430.7±3.0 cm3

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