ChemSpider 2D Image | (1S)-5',5'-Dimethyl-1,1'-bi(cyclohexane)-1',3-diene-4-carboxylic acid | C15H22O2

(1S)-5',5'-Dimethyl-1,1'-bi(cyclohexane)-1',3-diene-4-carboxylic acid

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID76963358
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(1S)-5',5'-Dimethyl-1,1'-bi(cyclohexan)-1',3-dien-4-carbonsäure [German] [ACD/IUPAC Name]
(1S)-5',5'-Dimethyl-1,1'-bi(cyclohexane)-1',3-diene-4-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 4-(5,5-dimethyl-1-cyclohexen-1-yl)-, (4S)- [ACD/Index Name]
Acide (1S)-5',5'-diméthyl-1,1'-bi(cyclohexane)-1',3-diène-4-carboxylique [French] [ACD/IUPAC Name]
(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-ene-1-carboxylic acid
zealexin A1
  • Miscellaneous

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 362.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.8±6.0 kJ/mol
Flash Point: 172.5±22.6 °C
Index of Refraction: 1.531
Molar Refractivity: 68.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 291.52
ACD/KOC (pH 5.5): 1328.94
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 4.96
ACD/KOC (pH 7.4): 22.61
Polar Surface Area: 37 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 219.8±3.0 cm3

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