ChemSpider 2D Image | (1S,3R,6S)-7-Oxabicyclo[4.1.0]hept-3-ylmethyl (1S,3S,6S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate | C14H20O4

(1S,3R,6S)-7-Oxabicyclo[4.1.0]hept-3-ylmethyl (1S,3S,6S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate

  • Molecular FormulaC14H20O4
  • Average mass252.306 Da
  • Monoisotopic mass252.136154 Da
  • ChemSpider ID34993835

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3R,6S)-7-Oxabicyclo[4.1.0]hept-3-ylmethyl (1S,3S,6S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate [ACD/IUPAC Name]
(1S,3R,6S)-7-Oxabicyclo[4.1.0]hept-3-ylmethyl-(1S,3S,6S)-7-oxabicyclo[4.1.0]heptan-3-carboxylat [German] [ACD/IUPAC Name]
(1S,3S,6S)-7-Oxabicyclo[4.1.0]heptane-3-carboxylate de (1S,3R,6S)-7-oxabicyclo[4.1.0]hept-3-ylméthyle [French] [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, (1S,3R,6S)-7-oxabicyclo[4.1.0]hept-3-ylmethyl ester, (1S,3S,6S)- [ACD/Index Name]
(3,4-Epoxycyclohexyl)methyl 3,4-epoxycyclohexylcarboxylate
219-207-4 [EINECS]
2386-87-0 [RN]
UNII-S224DEL3P4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 363.4±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 160.5±21.0 °C
Index of Refraction: 1.529
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.53
ACD/KOC (pH 5.5): 200.36
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.53
ACD/KOC (pH 7.4): 200.36
Polar Surface Area: 51 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 206.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement