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3,4-Epoxycyclohexylmethyl-3',4'-Epoxycyclohexane Carboxylate
CAS: 2386-87-0 | C14H20O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2386-87-0
Molecular Formula:
C14H20O4
Molecular Mass:
252.31 g/mol
Names and Synonyms:
3,4-Epoxycyclohexylmethyl-3',4'-Epoxycyclohexane Carboxylate
7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester
3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester
(3,4-Epoxycyclohexyl)methyl 3,4-epoxycyclohexylcarboxylate
(3′,4′-Epoxycyclohexylmethyl) 3,4-epoxycyclohexanecarboxylate
3,4-Epoxycyclohexanecarboxylic acid (3′,4′-epoxycyclohexyl)methyl ester
3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate
3,4-Epoxycyclohexylmethyl 3′,4′-epoxycyclohexanecarboxylate
7-Oxabicyclo[4.1.0]heptan-4-ylmethyl 7-oxabicyclo[4.1.0]heptane-4-carboxylate
3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
Chissonox 221 monomer
UP 632 monomer
3,4-Epoxycyclohexylmethyl 3′,4′-epoxycyclohexylcarboxylate
UVA 1500 monomer
(3′,4′-Epoxycyclohexane)methyl 3,4-epoxycyclohexanecarboxylate
3,4-Epoxycyclohexenylmethyl 3′,4′-epoxycyclohexenecarboxylate
EPOX
(3,4-Epoxycyclohexane)methyl 3,4-epoxycyclohexylcarboxylate
7-Oxabicyclo[4.1.0]hept-3-yl-methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
(3,4-Epoxycyclohexane)methyl 3′,4′-epoxycyclohexyl-carboxylate
Identifiers:
SMILES:
O=C(OCC1CCC2OC2C1)C1CCC2OC2C1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.31 g/mol | CAS Common Chemistry |
| 252.30999999999995 g/mol | RDKit | |
| 252.13615912 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 |
| Molar Refractivity | 62.96300000000005 | RDKit |
