Back to Search
Molecule
1-Tetracosanol
CAS: 506-51-4 · C24H50O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 506-51-4
- Molecular Formula
- C24H50O
- Molecular Mass
- 354.66 g/mol
Identifiers
CAS Registry Number
506-51-4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCO
InChI Key
TYWMIZZBOVGFOV-UHFFFAOYSA-N
InChI
InChI=1S/C24H50O/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/h25H,2-24H2,1H3
Names and Synonyms
- 1-Tetracosanol Synonym
- 1-Tetracosanol Synonym
- Lignoceryl alcohol Synonym
- Lignoceric alcohol Synonym
- Tetracosyl alcohol Synonym
- Lignocerol Synonym
- n-Tetracosanol Synonym
- Tetracosanol Synonym
- NSC 93768 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.66 g/mol | CAS Common Chemistry |
| 354.6630000000001 g/mol | RDKit | |
| 354.663 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Tetracosanol | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H50O/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/h25H,2-24H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TYWMIZZBOVGFOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 76 °C | CAS Common Chemistry |
| Name | 1-Tetracosanol | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 22 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 8.580800000000004 | RDKit |
| 8.5808 | RDKit | |
| 9.32 | chempirical lib | |
| Molar Refractivity | 114.3338000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 354.38616621999995 g/mol | RDKit |
| Boiling Point | 230-235 °C @ 12 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 = 354.66 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H50O.
