ChemSpider 2D Image | {3,5-Dimethyl-5-[(7E,11Z)-2-methyl-12-phenyl-7,11-dodecadien-1-yl]-1,2-dioxolan-3-yl}acetic acid | C26H38O4

{3,5-Dimethyl-5-[(7E,11Z)-2-methyl-12-phenyl-7,11-dodecadien-1-yl]-1,2-dioxolan-3-yl}acetic acid

  • Molecular FormulaC26H38O4
  • Average mass414.578 Da
  • Monoisotopic mass414.277008 Da
  • ChemSpider ID24699777

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

{3,5-Dimethyl-5-[(7E,11Z)-2-methyl-12-phenyl-7,11-dodecadien-1-yl]-1,2-dioxolan-3-yl}acetic acid [ACD/IUPAC Name]
{3,5-Dimethyl-5-[(7E,11Z)-2-methyl-12-phenyl-7,11-dodecadien-1-yl]-1,2-dioxolan-3-yl}essigsäure [German] [ACD/IUPAC Name]
1,2-Dioxolane-3-acetic acid, 3,5-dimethyl-5-[(7E,11Z)-2-methyl-12-phenyl-7,11-dodecadien-1-yl]- [ACD/Index Name]
Acide {3,5-diméthyl-5-[(7E,11Z)-2-méthyl-12-phényl-7,11-dodécadién-1-yl]-1,2-dioxolan-3-yl}acétique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL478344/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 538.9±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 172.2±17.8 °C
Index of Refraction: 1.522
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 6748.47
ACD/KOC (pH 5.5): 8997.77
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 108.18
ACD/KOC (pH 7.4): 144.23
Polar Surface Area: 56 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 405.3±3.0 cm3

Click to predict properties on the Chemicalize site


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