Back to Search
Molecule
2,5,8,11,14-Pentaoxahexadecan-16-Ol
CAS: 23778-52-1 · C11H24O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 23778-52-1
- Molecular Formula
- C11H24O6
- Molecular Mass
- 252.31 g/mol
Identifiers
CAS Registry Number
23778-52-1
SMILES
COCCOCCOCCOCCOCCO
InChI Key
SLNYBUIEAMRFSZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3
Names and Synonyms
- 2,5,8,11,14-Pentaoxahexadecan-16-Ol Systematic Name
- 3,6,9,12,15-Pentaoxahexadecan-1-ol Synonym
- 2,5,8,11,14-Pentaoxahexadecan-16-ol Synonym
- Ethanol, 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]- Synonym
- Pentaethylene glycol, monomethyl ether Synonym
- 3,6,9,12,15-Pentaoxahexadecanol Synonym
- Pentaethylene glycol methyl ether Synonym
- Methoxypentaethylene glycol Synonym
- 2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | OCCOCCOCCOCCOCCOC | CAS Common Chemistry |
| Molecular Mass | 252.31 g/mol | CAS Common Chemistry |
| 252.30699999999993 g/mol | RDKit | |
| 252.307 g/mol | RDKit | |
| InChI | InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SLNYBUIEAMRFSZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,5,8,11,14-Pentaoxahexadecan-16-ol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.38000000000001 Ų | RDKit |
| 66.38 Ų | RDKit | |
| LogP | -0.30849999999999816 | RDKit |
| -0.3085 | RDKit | |
| Molar Refractivity | 62.23780000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 252.157288488 g/mol | RDKit |
| Boiling Point | 110 °C @ 0.01 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
Convert
Quick conversion
MW = 252.31 g/mol. Edit any field — others recompute live.
