ChemSpider 2D Image | (2E)-4,5,6-Trihydroxy-6-[4-(hydroxymethyl)cyclohexyl]-2-methyl-2-heptenoic acid | C15H26O6

(2E)-4,5,6-Trihydroxy-6-[4-(hydroxymethyl)cyclohexyl]-2-methyl-2-heptenoic acid

  • Molecular FormulaC15H26O6
  • Average mass302.363 Da
  • Monoisotopic mass302.172943 Da
  • ChemSpider ID78443700

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4,5,6-Trihydroxy-6-[4-(hydroxymethyl)cyclohexyl]-2-methyl-2-heptenoic acid [ACD/IUPAC Name]
(2E)-4,5,6-Trihydroxy-6-[4-(hydroxymethyl)cyclohexyl]-2-methyl-2-heptensäure [German] [ACD/IUPAC Name]
Acide (2E)-4,5,6-trihydroxy-6-[4-(hydroxyméthyl)cyclohexyl]-2-méthyl-2-hepténoïque [French] [ACD/IUPAC Name]
Hept-2-enonic acid, 2,3,7-trideoxy-6-C-[4-(hydroxymethyl)cyclohexyl]-2-methyl-, (2E)- [ACD/Index Name]
Inonolane A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 315.1±26.6 °C
Index of Refraction: 1.555
Molar Refractivity: 76.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.64
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 238.6±3.0 cm3

Click to predict properties on the Chemicalize site


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