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Molecule
Hexaethylene Glycol
CAS: 2615-15-8 · C12H26O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2615-15-8
- Molecular Formula
- C12H26O7
- Molecular Mass
- 282.33 g/mol
Identifiers
CAS Registry Number
2615-15-8
SMILES
OCCOCCOCCOCCOCCOCCO
InChI Key
IIRDTKBZINWQAW-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
Names and Synonyms
- Hexaethylene Glycol Synonym
- 3,6,9,12,15-Pentaoxaheptadecane-1,17-diol Synonym
- Hexaethylene glycol Synonym
- Hexaoxyethylene glycol Synonym
- Ethanol, 2,2′-[oxybis(oxy-2,1-ethanediyloxy-2,1-ethanediyloxy)]bis- Synonym
- Hexagol Synonym
- NSC 201209 Synonym
- 2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.33 g/mol | CAS Common Chemistry |
| 282.33299999999997 g/mol | RDKit | |
| 282.333 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.0948 g/cm3 @ 60 °C | CAS Common Chemistry | |
| Boiling Point | 217 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCO | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IIRDTKBZINWQAW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5-7 °C | CAS Common Chemistry |
| Name | Hexaethylene glycol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.61000000000001 Ų | RDKit |
| 86.61 Ų | RDKit | |
| LogP | -0.9459999999999973 | RDKit |
| -0.946 | RDKit | |
| Molar Refractivity | 68.26660000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 282.16785317200004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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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Quick conversion
MW = 282.33 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
