ChemSpider 2D Image | (4R,5S,7E,9Z,14R)-5-Hydroxy-7-isopropyl-4,10,14-trimethyl-7,9-cyclotetradecadiene-1,6-dione | C20H32O3

(4R,5S,7E,9Z,14R)-5-Hydroxy-7-isopropyl-4,10,14-trimethyl-7,9-cyclotetradecadiene-1,6-dione

  • Molecular FormulaC20H32O3
  • Average mass320.466 Da
  • Monoisotopic mass320.235138 Da
  • ChemSpider ID24717152

  • 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

(4R,5S,7E,9Z,14R)-5-Hydroxy-7-isopropyl-4,10,14-trimethyl-7,9-cyclotetradecadien-1,6-dion [German] [ACD/IUPAC Name]
(4R,5S,7E,9Z,14R)-5-Hydroxy-7-isopropyl-4,10,14-trimethyl-7,9-cyclotetradecadiene-1,6-dione [ACD/IUPAC Name]
(4R,5S,7E,9Z,14R)-5-Hydroxy-7-isopropyl-4,10,14-triméthyl-7,9-cyclotétradécadiène-1,6-dione [French] [ACD/IUPAC Name]
7,9-Cyclotetradecadiene-1,6-dione, 5-hydroxy-4,10,14-trimethyl-7-(1-methylethyl)-, (4R,5S,7E,9Z,14R)- [ACD/Index Name]
7,8-dihydroflabellatene A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517446/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 472.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.8±6.0 kJ/mol
Flash Point: 253.9±25.2 °C
Index of Refraction: 1.474
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 686.34
ACD/KOC (pH 5.5): 3732.47
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 686.34
ACD/KOC (pH 7.4): 3732.45
Polar Surface Area: 54 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 333.0±3.0 cm3

Click to predict properties on the Chemicalize site


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