ChemSpider 2D Image | LEPTODIENONE A | C20H30O2

LEPTODIENONE A

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID24705934

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,4Z,8E,12R,14R)-12-Isopropenyl-1,5,9-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-on [German] [ACD/IUPAC Name]
(1R,4Z,8E,12R,14R)-12-Isopropenyl-1,5,9-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one [ACD/IUPAC Name]
(1R,4Z,8E,12R,14R)-12-Isopropényl-1,5,9-triméthyl-15-oxabicyclo[12.1.0]pentadéca-4,8-dién-3-one [French] [ACD/IUPAC Name]
15-Oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one, 1,5,9-trimethyl-12-(1-methylethenyl)-, (1R,4Z,8E,12R,14R)- [ACD/Index Name]
LEPTODIENONE A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL496264/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 423.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 165.9±22.3 °C
Index of Refraction: 1.485
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5363.76
ACD/KOC (pH 5.5): 16260.97
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5363.76
ACD/KOC (pH 7.4): 16260.97
Polar Surface Area: 30 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 30.0±3.0 dyne/cm
Molar Volume: 317.5±3.0 cm3

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