ChemSpider 2D Image | DURUMHEMIKETALOLIDE A | C20H28O5

DURUMHEMIKETALOLIDE A

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID24627599

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3E,7E)-1-Hydroxy-11-(hydroxymethyl)-3,7-dimethyl-15-methylen-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-14-on [German] [ACD/IUPAC Name]
(3E,7E)-1-Hydroxy-11-(hydroxymethyl)-3,7-dimethyl-15-methylene-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-14-one [ACD/IUPAC Name]
(3E,7E)-1-Hydroxy-11-(hydroxyméthyl)-3,7-diméthyl-15-méthylène-13,17-dioxatricyclo[9.5.1.112,16]octadéca-3,7-dién-14-one [French] [ACD/IUPAC Name]
13,17-Dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-14-one, 1-hydroxy-11-(hydroxymethyl)-3,7-dimethyl-15-methylene-, (3E,7E)- [ACD/Index Name]
DURUMHEMIKETALOLIDE A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 193.9±23.6 °C
Index of Refraction: 1.566
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 418.59
ACD/KOC (pH 5.5): 2619.88
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 418.58
ACD/KOC (pH 7.4): 2619.78
Polar Surface Area: 76 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 288.6±5.0 cm3

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