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Molecule
3,4-Epoxycyclohexylmethyl-3',4'-Epoxycyclohexane Carboxylate
CAS: 2386-87-0 · C14H20O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2386-87-0
- Molecular Formula
- C14H20O4
- Molecular Mass
- 252.31 g/mol
Identifiers
CAS Registry Number
2386-87-0
SMILES
O=C(OCC1CCC2OC2C1)C1CCC2OC2C1
InChI Key
YXALYBMHAYZKAP-UHFFFAOYSA-N
InChI
InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2
Names and Synonyms
- 3,4-Epoxycyclohexylmethyl-3',4'-Epoxycyclohexane Carboxylate Systematic Name
- 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester Synonym
- 3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester Synonym
- (3,4-Epoxycyclohexyl)methyl 3,4-epoxycyclohexylcarboxylate Synonym
- (3′,4′-Epoxycyclohexylmethyl) 3,4-epoxycyclohexanecarboxylate Synonym
- 3,4-Epoxycyclohexanecarboxylic acid (3′,4′-epoxycyclohexyl)methyl ester Synonym
- 3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate Synonym
- 3,4-Epoxycyclohexylmethyl 3′,4′-epoxycyclohexanecarboxylate Synonym
- 7-Oxabicyclo[4.1.0]heptan-4-ylmethyl 7-oxabicyclo[4.1.0]heptane-4-carboxylate Synonym
- 3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate Synonym
- Chissonox 221 monomer Synonym
- UP 632 monomer Synonym
- 3,4-Epoxycyclohexylmethyl 3′,4′-epoxycyclohexylcarboxylate Synonym
- UVA 1500 monomer Synonym
- (3′,4′-Epoxycyclohexane)methyl 3,4-epoxycyclohexanecarboxylate Synonym
- 3,4-Epoxycyclohexenylmethyl 3′,4′-epoxycyclohexenecarboxylate Synonym
- EPOX Synonym
- (3,4-Epoxycyclohexane)methyl 3,4-epoxycyclohexylcarboxylate Synonym
- 7-Oxabicyclo[4.1.0]hept-3-yl-methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate Synonym
- (3,4-Epoxycyclohexane)methyl 3′,4′-epoxycyclohexyl-carboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.31 g/mol | CAS Common Chemistry |
| 252.30999999999995 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3,4-Epoxycyclohexylmethyl-3%27,4%27-epoxycyclohexane_carboxylate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC1CCC2OC2C1)C3CCC4OC4C3 | CAS Common Chemistry |
| InChI | InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YXALYBMHAYZKAP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate | CAS Common Chemistry |
| 3,4-Epoxycyclohexylmethyl-3',4'-epoxycyclohexane carboxylate | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 51.36 Ų | RDKit |
| LogP | 1.6645999999999999 | RDKit |
| 1.6646 | RDKit | |
| Molar Refractivity | 62.96300000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9286 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 252.13615912 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 252.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H20O4.
