ChemSpider 2D Image | (3R,4R)-3-(2,6-Dihydroxy-4-pentylphenyl)-4-isopropenyl-1-cyclohexene-1-carboxylic acid | C21H28O4

(3R,4R)-3-(2,6-Dihydroxy-4-pentylphenyl)-4-isopropenyl-1-cyclohexene-1-carboxylic acid

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID107444103

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-3-(2,6-Dihydroxy-4-pentylphenyl)-4-isopropenyl-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3R,4R)-3-(2,6-Dihydroxy-4-pentylphenyl)-4-isopropenyl-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 3-(2,6-dihydroxy-4-pentylphenyl)-4-(1-methylethenyl)-, (3R,4R)- [ACD/Index Name]
Acide (3R,4R)-3-(2,6-dihydroxy-4-pentylphényl)-4-isopropényl-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
63958-77-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 546.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 298.4±26.6 °C
Index of Refraction: 1.572
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 739.34
ACD/KOC (pH 5.5): 2405.39
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 11.94
ACD/KOC (pH 7.4): 38.85
Polar Surface Area: 78 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 298.9±3.0 cm3

Click to predict properties on the Chemicalize site


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