ChemSpider 2D Image | (2E,4E)-5-[1,4-Dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid | C15H22O5

(2E,4E)-5-[1,4-Dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.146729 Da
  • ChemSpider ID35014766

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-5-[1,4-Dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid [ACD/IUPAC Name]
(2E,4E)-5-[1,4-Dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-2-cyclohexen-1-yl]-3-methyl-2,4-pentadiensäure [German] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 5-[1,4-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-2-cyclohexen-1-yl]-3-methyl-, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-5-[1,4-dihydroxy-6-(hydroxyméthyl)-2,6-diméthyl-2-cyclohexén-1-yl]-3-méthyl-2,4-pentadiénoïque [French] [ACD/IUPAC Name]
(2E,4E)-5-[1,4-dihydroxy-6-(hydroxymethyl)-2,6-dimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Pisumic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 501.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.7±6.0 kJ/mol
Flash Point: 271.3±26.6 °C
Index of Refraction: 1.615
Molar Refractivity: 77.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.72
ACD/LogD (pH 7.4): -2.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 220.6±3.0 cm3

Click to predict properties on the Chemicalize site


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