ChemSpider 2D Image | (2E)-4-{3-[(1E)-1-Hepten-1-yl]-2,5-dihydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-2-methyl-2-butenoic acid | C19H28O6

(2E)-4-{3-[(1E)-1-Hepten-1-yl]-2,5-dihydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-2-methyl-2-butenoic acid

  • Molecular FormulaC19H28O6
  • Average mass352.422 Da
  • Monoisotopic mass352.188599 Da
  • ChemSpider ID22943175

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-{3-[(1E)-1-Hepten-1-yl]-2,5-dihydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-2-methyl-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-{3-[(1E)-1-Hepten-1-yl]-2,5-dihydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-2-methyl-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-[3-[(1E)-1-hepten-1-yl]-2,5-dihydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methyl-, (2E)- [ACD/Index Name]
Acide (2E)-4-{3-[(1E)-1-heptén-1-yl]-2,5-dihydroxy-4-(hydroxyméthyl)-7-oxabicyclo[4.1.0]hept-3-én-1-yl}-2-méthyl-2-buténoïque [French] [ACD/IUPAC Name]
(E)-4-[3-[(E)-hept-1-enyl]-2,5-dihydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
Compound NP-014693

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

Density: 1.3±0.1 g/cm3
Boiling Point: 603.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 214.2±25.0 °C
Index of Refraction: 1.623
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 28.27
ACD/KOC (pH 5.5): 233.08
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.79
Polar Surface Area: 111 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 269.9±3.0 cm3

Click to predict properties on the Chemicalize site


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