ChemSpider 2D Image | (1S)-5',5'-Dimethyl-6'-oxo-1,1'-bi(cyclohexane)-1',3-diene-4-carboxylate | C15H19O3

(1S)-5',5'-Dimethyl-6'-oxo-1,1'-bi(cyclohexane)-1',3-diene-4-carboxylate

  • Molecular FormulaC15H19O3
  • Average mass247.310 Da
  • Monoisotopic mass247.133972 Da
  • ChemSpider ID128920920

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-5',5'-Dimethyl-6'-oxo-1,1'-bi(cyclohexan)-1',3-dien-4-carboxylat [German] [ACD/IUPAC Name]
(1S)-5',5'-Dimethyl-6'-oxo-1,1'-bi(cyclohexane)-1',3-diene-4-carboxylate [ACD/IUPAC Name]
(1S)-5',5'-Diméthyl-6'-oxo-1,1'-bi(cyclohexane)-1',3-diène-4-carboxylate [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 4-(5,5-dimethyl-6-oxo-1-cyclohexen-1-yl)-, ion(1-), (4S)- [ACD/Index Name]
zealexin A4

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

Density:
Boiling Point: 417.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±6.0 kJ/mol
Flash Point: 220.2±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 12.68
ACD/KOC (pH 5.5): 131.58
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.14
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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