ChemSpider 2D Image | coniochaetone E | C14H14O4

coniochaetone E

  • Molecular FormulaC14H14O4
  • Average mass246.259 Da
  • Monoisotopic mass246.089203 Da
  • ChemSpider ID32033811

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R)-8-Hydroxy-1-methoxy-6-methyl-2,3-dihydrocyclopenta[b]chromen-9(1H)-on [German] [ACD/IUPAC Name]
(1R)-8-Hydroxy-1-methoxy-6-methyl-2,3-dihydrocyclopenta[b]chromen-9(1H)-one [ACD/IUPAC Name]
(1R)-8-Hydroxy-1-méthoxy-6-méthyl-2,3-dihydrocyclopenta[b]chromén-9(1H)-one [French] [ACD/IUPAC Name]
Benzo[b]cyclopenta[e]pyran-9(1H)-one, 2,3-dihydro-8-hydroxy-1-methoxy-6-methyl-, (1R)- [ACD/Index Name]
coniochaetone E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 435.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 168.5±22.2 °C
Index of Refraction: 1.619
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.39
ACD/KOC (pH 5.5): 885.67
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 50.08
ACD/KOC (pH 7.4): 480.04
Polar Surface Area: 56 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 183.2±5.0 cm3

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