Found 3 results

Search term: CBWMFTMZESYHBT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[(1E)-1-Hepten-1-yl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol | C14H22O4

3-[(1E)-1-Hepten-1-yl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol

  • Molecular FormulaC14H22O4
  • Average mass254.322 Da
  • Monoisotopic mass254.151810 Da
  • ChemSpider ID123961430

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(1E)-1-Hepten-1-yl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2,5-diol [German] [ACD/IUPAC Name]
3-[(1E)-1-Hepten-1-yl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol [ACD/IUPAC Name]
3-[(1E)-1-Heptén-1-yl]-4-(hydroxyméthyl)-7-oxabicyclo[4.1.0]hept-3-ène-2,5-diol [French] [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]hept-3-ene-2,5-diol, 3-[(1E)-1-hepten-1-yl]-4-(hydroxymethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 466.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 236.1±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.38
ACD/KOC (pH 5.5): 678.34
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.38
ACD/KOC (pH 7.4): 678.34
Polar Surface Area: 73 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 200.0±3.0 cm3

Click to predict properties on the Chemicalize site


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