ChemSpider 2D Image | Lorneic acid A | C17H22O2

Lorneic acid A

  • Molecular FormulaC17H22O2
  • Average mass258.355 Da
  • Monoisotopic mass258.161987 Da
  • ChemSpider ID24531938

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(3E)-4-{2-[(1E)-1-Hexen-1-yl]-4-methylphenyl}-3-butenoic acid [ACD/IUPAC Name]
(3E)-4-{2-[(1E)-1-Hexen-1-yl]-4-methylphenyl}-3-butensäure [German] [ACD/IUPAC Name]
(3E)-4-{2-[(1E)-Hex-1-en-1-yl]-4-methylphenyl}but-3-enoic acid
3-Butenoic acid, 4-[2-[(1E)-1-hexen-1-yl]-4-methylphenyl]-, (3E)- [ACD/Index Name]
Acide (3E)-4-{2-[(1E)-1-hexén-1-yl]-4-méthylphényl}-3-buténoïque [French] [ACD/IUPAC Name]
Lorneic acid A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 427.8±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 324.5±18.0 °C
Index of Refraction: 1.583
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 88.06
ACD/KOC (pH 5.5): 363.35
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 6.12
Polar Surface Area: 37 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 248.3±3.0 cm3

Click to predict properties on the Chemicalize site


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