ChemSpider 2D Image | (1S,6'S)-6'-Hydroxy-5',5'-dimethyl-1,1'-bi(cyclohexane)-1',3-diene-4-carboxylate | C15H21O3

(1S,6'S)-6'-Hydroxy-5',5'-dimethyl-1,1'-bi(cyclohexane)-1',3-diene-4-carboxylate

  • Molecular FormulaC15H21O3
  • Average mass249.326 Da
  • Monoisotopic mass249.149612 Da
  • ChemSpider ID128920973

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,6'S)-6'-Hydroxy-5',5'-dimethyl-1,1'-bi(cyclohexan)-1',3-dien-4-carboxylat [German] [ACD/IUPAC Name]
(1S,6'S)-6'-Hydroxy-5',5'-dimethyl-1,1'-bi(cyclohexane)-1',3-diene-4-carboxylate [ACD/IUPAC Name]
(1S,6'S)-6'-Hydroxy-5',5'-diméthyl-1,1'-bi(cyclohexane)-1',3-diène-4-carboxylate [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 4-[(6S)-6-hydroxy-5,5-dimethyl-1-cyclohexen-1-yl]-, ion(1-), (4S)- [ACD/Index Name]
-4-(6-hydroxy-5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carboxylic acid
zealexin A3

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

Density:
Boiling Point: 412.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 217.6±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 27.06
ACD/KOC (pH 5.5): 242.39
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.13
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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