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Molecule
1-Hexacosanol
CAS: 506-52-5 · C26H54O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 506-52-5
- Molecular Formula
- C26H54O
- Molecular Mass
- 382.72 g/mol
Identifiers
CAS Registry Number
506-52-5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI Key
IRHTZOCLLONTOC-UHFFFAOYSA-N
InChI
InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3
Names and Synonyms
- 1-Hexacosanol Synonym
- 1-Hexacosanol Synonym
- Ceryl alcohol Synonym
- Cerylic alcohol Synonym
- n-Hexacosanol Synonym
- Hexacosyl alcohol Synonym
- Hexacosanol Synonym
- Cerotyl alcohol Synonym
- NSC 4058 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 382.72 g/mol | CAS Common Chemistry |
| 382.7170000000002 g/mol | RDKit | |
| 382.717 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Hexacosanol | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IRHTZOCLLONTOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80 °C | CAS Common Chemistry |
| Name | 1-Hexacosanol | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 24 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 9.360999999999999 | RDKit |
| 9.361 | RDKit | |
| 10.1 | chempirical lib | |
| Molar Refractivity | 123.56780000000012 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 382.41746634799995 g/mol | RDKit |
| Boiling Point | 175 °C @ 0.02 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 = 382.72 g/mol. Edit any field — others recompute live.
