ChemSpider 2D Image | bound formvibralactone | C12H18O3

bound formvibralactone

  • Molecular FormulaC12H18O3
  • Average mass210.270 Da
  • Monoisotopic mass210.125595 Da
  • ChemSpider ID35033782

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-5-Hydroxy-3-(hydroxymethyl)-1-(3-methyl-2-buten-1-yl)-2-cyclopenten-1-carbaldehyd [German] [ACD/IUPAC Name]
(1R,5S)-5-Hydroxy-3-(hydroxymethyl)-1-(3-methyl-2-buten-1-yl)-2-cyclopentene-1-carbaldehyde [ACD/IUPAC Name]
(1R,5S)-5-Hydroxy-3-(hydroxyméthyl)-1-(3-méthyl-2-butén-1-yl)-2-cyclopentène-1-carbaldéhyde [French] [ACD/IUPAC Name]
2-Cyclopentene-1-carboxaldehyde, 5-hydroxy-3-(hydroxymethyl)-1-(3-methyl-2-buten-1-yl)-, (1R,5S)- [ACD/Index Name]
bound formvibralactone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 356.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.7±6.0 kJ/mol
Flash Point: 183.5±24.4 °C
Index of Refraction: 1.578
Molar Refractivity: 60.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.72
ACD/KOC (pH 5.5): 226.80
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.72
ACD/KOC (pH 7.4): 226.80
Polar Surface Area: 58 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 181.1±3.0 cm3

Click to predict properties on the Chemicalize site


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