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Molecule
1,6-Hexanediol Diglycidyl Ether
CAS: 16096-31-4 · C12H22O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 16096-31-4
- Molecular Formula
- C12H22O4
- Molecular Mass
- 230.30 g/mol
Identifiers
CAS Registry Number
16096-31-4
SMILES
C(CCCOCC1CO1)CCOCC1CO1
InChI Key
WTYYGFLRBWMFRY-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O4/c1(3-5-13-7-11-9-15-11)2-4-6-14-8-12-10-16-12/h11-12H,1-10H2
Names and Synonyms
- 1,6-Hexanediol Diglycidyl Ether Synonym
- Oxirane, 2,2′-[1,6-hexanediylbis(oxymethylene)]bis- Synonym
- Hexane, 1,6-bis(2,3-epoxypropoxy)- Synonym
- 2,2′-[1,6-Hexanediylbis(oxymethylene)]bis[oxirane] Synonym
- 1,6-Hexamethylenediol diglycidyl ether Synonym
- 1,6-Hexanediol diglycidyl ether Synonym
- Hexanediol diglycidyl ether Synonym
- Hexamethylene glycol diglycidyl ether Synonym
- Hexamethylene diglycidyl ether Synonym
- 1,6-Bis(glycidyloxy)hexane Synonym
- 1,6-Hexanediol bisglycidyl ether Synonym
- 1,6-Bis(2,3-epoxypropoxy)hexane Synonym
- 1,6-Hexandiol-diglycidyl ether Synonym
- 1,6-Bis(oxiran-2-ylmethoxy)hexane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.30 g/mol | CAS Common Chemistry |
| 230.30399999999995 g/mol | RDKit | |
| 230.304 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,6-Hexanediol_diglycidyl_ether | CAS Common Chemistry |
| Canonical SMILES | O(CCCCCCOCC1OC1)CC2OC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O4/c1(3-5-13-7-11-9-15-11)2-4-6-14-8-12-10-16-12/h11-12H,1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WTYYGFLRBWMFRY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,6-Hexanediol diglycidyl ether | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.519999999999996 Ų | RDKit |
| 43.52 Ų | RDKit | |
| LogP | 1.3776 | RDKit |
| Molar Refractivity | 59.586000000000055 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 230.151809184 g/mol | RDKit |
| Boiling Point | 132 °C @ 0.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 230.30 g/mol. Edit any field — others recompute live.
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