ChemSpider 2D Image | 3-Hydroxy-4-[(2R)-6-methyl-5-hepten-2-yl]benzyl 3-methyl-2-butenoate | C20H28O3

3-Hydroxy-4-[(2R)-6-methyl-5-hepten-2-yl]benzyl 3-methyl-2-butenoate

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID57514059

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Butenoic acid, 3-methyl-, [4-[(1R)-1,5-dimethyl-4-hexen-1-yl]-3-hydroxyphenyl]methyl ester [ACD/Index Name]
3-Hydroxy-4-[(2R)-6-methyl-5-hepten-2-yl]benzyl 3-methyl-2-butenoate [ACD/IUPAC Name]
3-Hydroxy-4-[(2R)-6-methyl-5-hepten-2-yl]benzyl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
3-Méthyl-2-buténoate de 3-hydroxy-4-[(2R)-6-méthyl-5-heptén-2-yl]benzyle [French] [ACD/IUPAC Name]
{3-HYDROXY-4-[(2R)-6-METHYLHEPT-5-EN-2-YL]PHENYL}METHYL 3-METHYLBUT-2-ENOATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 434.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 168.9±18.7 °C
Index of Refraction: 1.527
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11891.54
ACD/KOC (pH 5.5): 28749.96
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11840.90
ACD/KOC (pH 7.4): 28627.52
Polar Surface Area: 47 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 309.6±3.0 cm3

Click to predict properties on the Chemicalize site


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