ChemSpider 2D Image | (2Z)-5-(2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methyl-2-pentenoic acid | C15H22O2

(2Z)-5-(2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methyl-2-pentenoic acid

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID58827204

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-5-(2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methyl-2-pentenoic acid [ACD/IUPAC Name]
(2Z)-5-(2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methyl-2-pentensäure [German] [ACD/IUPAC Name]
2-Pentenoic acid, 5-(2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methyl-, (2Z)- [ACD/Index Name]
Acide (2Z)-5-(2,6-diméthylbicyclo[3.1.1]hept-2-én-6-yl)-2-méthyl-2-penténoïque [French] [ACD/IUPAC Name]
(2Z)-5-(2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methylpent-2-enoic acid
(Z)-α-Bergamotenoic acid
124439-27-6 [RN]
α-bergamotenoic acid
  • Miscellaneous

    • Chemical Class:

      A sesquiterpenoid that is alpha-bergamotene in which one of the methyl groups attached to the exocyclic C=C double bond has been oxidised to form the corresponding carboxylic acid. ChEBI CHEBI:131505
      A sesquiterpenoid that is alpha-bergamotene in which one of the methyl groups attached to the exocyclic C2C double bond has been oxidised to form the corresponding carbox; ylic acid. ChEBI CHEBI:131505

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

Density: 1.0±0.1 g/cm3
Boiling Point: 358.9±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.4±6.0 kJ/mol
Flash Point: 260.1±10.2 °C
Index of Refraction: 1.517
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 488.25
ACD/KOC (pH 5.5): 1945.44
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 8.39
ACD/KOC (pH 7.4): 33.44
Polar Surface Area: 37 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 226.6±3.0 cm3

Click to predict properties on the Chemicalize site


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