ChemSpider 2D Image | (4R,5S,7Z,9Z,14S)-5-Hydroxy-14-(hydroxymethyl)-7-isopropyl-4,10-dimethyl-7,9-cyclotetradecadiene-1,6-dione | C20H32O4

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

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID57641914

  • 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,7Z,9Z,14S)-5-Hydroxy-14-(hydroxymethyl)-7-isopropyl-4,10-dimethyl-7,9-cyclotetradecadien-1,6-dion [German] [ACD/IUPAC Name]
(4R,5S,7Z,9Z,14S)-5-Hydroxy-14-(hydroxymethyl)-7-isopropyl-4,10-dimethyl-7,9-cyclotetradecadiene-1,6-dione [ACD/IUPAC Name]
(4R,5S,7Z,9Z,14S)-5-Hydroxy-14-(hydroxyméthyl)-7-isopropyl-4,10-diméthyl-7,9-cyclotétradécadiène-1,6-dione [French] [ACD/IUPAC Name]
7,9-Cyclotetradecadiene-1,6-dione, 5-hydroxy-14-(hydroxymethyl)-4,10-dimethyl-7-(1-methylethyl)-, (4R,5S,7Z,9Z,14S)- [ACD/Index Name]
7,8-dihydroflabellatene A
745819-66-3 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 517.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 280.7±26.6 °C
Index of Refraction: 1.486
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.82
ACD/KOC (pH 5.5): 792.90
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.82
ACD/KOC (pH 7.4): 792.90
Polar Surface Area: 75 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 331.6±3.0 cm3

Click to predict properties on the Chemicalize site


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