ChemSpider 2D Image | 2-Cyclopenten-1-one, 3,4,5-trihydroxy-2-isovaleryl-5-(3-methyl-2-butenyl)- | C15H22O5

2-Cyclopenten-1-one, 3,4,5-trihydroxy-2-isovaleryl-5-(3-methyl-2-butenyl)-

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.147003 Da
  • ChemSpider ID20039731

More details:

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

2-Cyclopenten-1-one, 3,4,5-trihydroxy-2-isovaleryl-5-(3-methyl-2-butenyl)-
2-Cyclopenten-1-one, 3,4,5-trihydroxy-5-(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)- [ACD/Index Name]
2-Cyclopenten-1-one, 3,4,5-trihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-
3,4,5-Trihydroxy-2-(3-methylbutanoyl)-5-(3-methyl-2-buten-1-yl)-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
3,4,5-Trihydroxy-2-(3-methylbutanoyl)-5-(3-methyl-2-buten-1-yl)-2-cyclopenten-1-one [ACD/IUPAC Name]
3,4,5-Trihydroxy-2-(3-méthylbutanoyl)-5-(3-méthyl-2-butén-1-yl)-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
3,4,5-Trihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-2-cyclopenten-1-one, 9CI
3,4,5-trihydroxy-5-(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclopent-2-en-1-one
469-30-7 [RN]
Oxyhumulinic acid

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

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

Density: 1.3±0.0 g/cm3
Boiling Point: 442.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 80.7±0.0 kJ/mol
Flash Point: 235.3±0.0 °C
Index of Refraction:
Molar Refractivity: 73.7±0.0 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 29.2±0.0 10-24cm3
Surface Tension: 56.7±0.0 dyne/cm
Molar Volume: 225.5±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement