ChemSpider 2D Image | CBDP | C23H34O2

CBDP

  • Molecular FormulaC23H34O2
  • Average mass342.515 Da
  • Monoisotopic mass342.255890 Da
  • ChemSpider ID84400576

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenediol, 5-heptyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- [ACD/Index Name]
55824-13-0 [RN]
5-Heptyl-2-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-benzenediol [ACD/IUPAC Name]
5-Heptyl-2-[(1R,6R)-6-isopropényl-3-méthyl-2-cyclohexén-1-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
5-Heptyl-2-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
CBDP
5-heptyl-2-[(1R ,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol
5-Heptyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 488.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 212.6±23.3 °C
Index of Refraction: 1.538
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 7.88
ACD/BCF (pH 5.5): 571072.13
ACD/KOC (pH 5.5): 459410.50
ACD/LogD (pH 7.4): 7.88
ACD/BCF (pH 7.4): 567764.25
ACD/KOC (pH 7.4): 456749.41
Polar Surface Area: 40 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 339.7±3.0 cm3

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