ChemSpider 2D Image | 6-{[3-(1-Cyclohexen-1-ylmethyl)-7-oxabicyclo[4.1.0]hept-3-yl]methoxy}-6-oxohexanoate | C20H29O5

6-{[3-(1-Cyclohexen-1-ylmethyl)-7-oxabicyclo[4.1.0]hept-3-yl]methoxy}-6-oxohexanoate

  • Molecular FormulaC20H29O5
  • Average mass349.442 Da
  • Monoisotopic mass349.202057 Da
  • ChemSpider ID57537690

  • Charge - Charge

More details:

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

6-{[3-(1-Cyclohexen-1-ylmethyl)-7-oxabicyclo[4.1.0]hept-3-yl]methoxy}-6-oxohexanoat [German] [ACD/IUPAC Name]
6-{[3-(1-Cyclohexen-1-ylmethyl)-7-oxabicyclo[4.1.0]hept-3-yl]methoxy}-6-oxohexanoate [ACD/IUPAC Name]
6-{[3-(1-Cyclohexén-1-ylméthyl)-7-oxabicyclo[4.1.0]hept-3-yl]méthoxy}-6-oxohexanoate [French] [ACD/IUPAC Name]
Hexanedioic acid, mono[[3-(1-cyclohexen-1-ylmethyl)-7-oxabicyclo[4.1.0]hept-3-yl]methyl] ester, ion(1-) [ACD/Index Name]
460720-06-3 [RN]
6-({3-[(Cyclohex-1-en-1-yl)methyl]-7-oxabicyclo[4.1.0]heptan-3-yl}methoxy)-6-oxohexanoate

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

Density:
Boiling Point: 500.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.2±6.0 kJ/mol
Flash Point: 172.2±15.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 103.04
ACD/KOC (pH 5.5): 541.09
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 8.55
Polar Surface Area: 79 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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