ChemSpider 2D Image | 2,4-Dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-6-pentylbenzoate | C22H29O4

2,4-Dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-6-pentylbenzoate

  • Molecular FormulaC22H29O4
  • Average mass357.464 Da
  • Monoisotopic mass357.207123 Da
  • ChemSpider ID28533130

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,4-Dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-6-pentylbenzoat [German] [ACD/IUPAC Name]
2,4-Dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-6-pentylbenzoate [ACD/IUPAC Name]
2,4-Dihydroxy-3-[(1R,6R)-6-isopropényl-3-méthyl-2-cyclohexén-1-yl]-6-pentylbenzoate [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentyl-, ion(1-) [ACD/Index Name]
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate
2,4-dihydroxy-3-[(6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate
3-p-Mentha-1,8-dien-3-yl-6-pentyl-β-resorcylic acid
cannabidiolate
cannabidiolate anion
cannabidiolate(1-)
More...
  • Miscellaneous

    • Chemical Class:

      A dihydroxybenzoate that is the conjugate base of cannabidiolic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:67136

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

Density:
Boiling Point: 530.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 288.9±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 313.64
ACD/KOC (pH 5.5): 338.72
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 143.27
ACD/KOC (pH 7.4): 154.72
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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