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Molecule
Tricosane
CAS: 638-67-5 · C23H48
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 638-67-5
- Molecular Formula
- C23H48
- Molecular Mass
- 324.64 g/mol
Identifiers
CAS Registry Number
638-67-5
SMILES
CCCCCCCCCCCCCCCCCCCCCCC
InChI Key
FIGVVZUWCLSUEI-UHFFFAOYSA-N
InChI
InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
Names and Synonyms
- Tricosane Common Name
- Tricosane Synonym
- n-Tricosane Synonym
- NSC 78487 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 324.64 g/mol | CAS Common Chemistry |
| 324.63700000000006 g/mol | RDKit | |
| 324.637 g/mol | RDKit | |
| Boiling Point | 380 °C | CAS Common Chemistry |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FIGVVZUWCLSUEI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 47.6 °C | CAS Common Chemistry |
| Name | Tricosane | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 9.218300000000001 | RDKit |
| 9.2183 | RDKit | |
| 9.22 | chempirical lib | |
| Molar Refractivity | 108.3050000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 324.375601536 g/mol | RDKit |
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 = 324.64 g/mol. Edit any field — others recompute live.
