ChemSpider 2D Image | 2,4-Dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-6-propylbenzoic acid | C20H26O4

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

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID58828747

  • 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-propylbenzoesäure [German] [ACD/IUPAC Name]
2,4-Dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-6-propylbenzoic acid [ACD/IUPAC Name]
31932-13-5 [RN]
Acide 2,4-dihydroxy-3-[(1R,6R)-6-isopropényl-3-méthyl-2-cyclohexén-1-yl]-6-propylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-propyl- [ACD/Index Name]
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-propylbenzoic acid
Cannabidivarinic acid
Cannabidivarinic Acid (CBDVA)missing

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

Density: 1.2±0.1 g/cm3
Boiling Point: 510.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 276.5±26.6 °C
Index of Refraction: 1.576
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 46.06
ACD/KOC (pH 5.5): 85.43
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 21.34
ACD/KOC (pH 7.4): 39.58
Polar Surface Area: 78 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 286.2±3.0 cm3

Click to predict properties on the Chemicalize site


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