ChemSpider 2D Image | (1S)-5',5'-Dimethyl-1,1'-bi(cyclohexane)-1',3-diene-4-carboxylate | C15H21O2

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

  • Molecular FormulaC15H21O2
  • Average mass233.327 Da
  • Monoisotopic mass233.154709 Da
  • ChemSpider ID76963341

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

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

Density:
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:
Molar Refractivity:
#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: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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