ChemSpider 2D Image | (1R,5S,6S,7S)-5-Hydroxy-7-methyl-7-(4-methyl-3-penten-1-yl)bicyclo[4.1.0]hept-2-ene-3-carboxylic acid | C15H22O3

(1R,5S,6S,7S)-5-Hydroxy-7-methyl-7-(4-methyl-3-penten-1-yl)bicyclo[4.1.0]hept-2-ene-3-carboxylic acid

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID58133401

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,5S,6S,7S)-5-Hydroxy-7-methyl-7-(4-methyl-3-penten-1-yl)bicyclo[4.1.0]hept-2-en-3-carbonsäure [German] [ACD/IUPAC Name]
(1R,5S,6S,7S)-5-Hydroxy-7-methyl-7-(4-methyl-3-penten-1-yl)bicyclo[4.1.0]hept-2-ene-3-carboxylic acid [ACD/IUPAC Name]
Acide (1R,5S,6S,7S)-5-hydroxy-7-méthyl-7-(4-méthyl-3-pentén-1-yl)bicyclo[4.1.0]hept-2-ène-3-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[4.1.0]hept-2-ene-3-carboxylic acid, 5-hydroxy-7-methyl-7-(4-methyl-3-penten-1-yl)-, (1R,5S,6S,7S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3359153/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 394.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.6±6.0 kJ/mol
Flash Point: 206.7±22.4 °C
Index of Refraction: 1.546
Molar Refractivity: 70.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 71.25
ACD/KOC (pH 5.5): 452.75
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 7.37
Polar Surface Area: 58 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 221.2±3.0 cm3

Click to predict properties on the Chemicalize site


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