ChemSpider 2D Image | (4E,6E)-2-(Hydroxymethyl)-3-(3-methoxy-3-oxopropyl)-4,6-decadienoic acid | C15H24O5

(4E,6E)-2-(Hydroxymethyl)-3-(3-methoxy-3-oxopropyl)-4,6-decadienoic acid

  • Molecular FormulaC15H24O5
  • Average mass284.348 Da
  • Monoisotopic mass284.162384 Da
  • ChemSpider ID29814405
  • Double-bond stereo - Double-bond stereo


More details:






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

(4E,6E)-2-(Hydroxymethyl)-3-(3-methoxy-3-oxopropyl)-4,6-decadienoic acid [ACD/IUPAC Name]
(4E,6E)-2-(Hydroxymethyl)-3-(3-methoxy-3-oxopropyl)-4,6-decadiensäure [German] [ACD/IUPAC Name]
Acide (4E,6E)-2-(hydroxyméthyl)-3-(3-méthoxy-3-oxopropyl)-4,6-décadiénoïque [French] [ACD/IUPAC Name]
Hexanedioic acid, 3-[(1E,3E)-1,3-heptadien-1-yl]-2-(hydroxymethyl)-, 6-methyl ester [ACD/Index Name]
(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid
Compound NP-016437

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

Density: 1.1±0.1 g/cm3
Boiling Point: 452.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±6.0 kJ/mol
Flash Point: 161.7±22.2 °C
Index of Refraction: 1.500
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.53
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 259.7±3.0 cm3

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