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Molecule
Nervonic Acid
CAS: 506-37-6 · C24H46O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 506-37-6
- Molecular Formula
- C24H46O2
- Molecular Mass
- 366.63 g/mol
Identifiers
CAS Registry Number
506-37-6
SMILES
CCCCCCCC/C=CCCCCCCCCCCCCCC(=O)O
InChI Key
GWHCXVQVJPWHRF-KTKRTIGZSA-N
InChI
InChI=1S/C24H46O2/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/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-
Names and Synonyms
- Nervonic Acid Synonym
- 15-Tetracosenoic acid, (15Z)- Synonym
- 15-Tetracosenoic acid, (Z)- Synonym
- 15-Tetracosenoic acid, cis- Synonym
- (15Z)-15-Tetracosenoic acid Synonym
- cis-15-Tetracosenoic acid Synonym
- Nervonic acid Synonym
- Nevonic acid Synonym
- Selacholeic acid Synonym
- (Z)-15-Tetracosenoic acid Synonym
- (15Z)-Tetracosenoic acid Synonym
- 15Z-Tetracosenoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 366.63 g/mol | CAS Common Chemistry |
| 366.63000000000017 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nervonic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H46O2/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/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9- | CAS Common Chemistry |
| InChI Key | InChIKey=GWHCXVQVJPWHRF-KTKRTIGZSA-N | CAS Common Chemistry |
| Melting Point | 40-41 °C | CAS Common Chemistry |
| Name | Nervonic acid | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 8.449100000000007 | RDKit |
| 8.4491 | RDKit | |
| 8.37 | chempirical lib | |
| Molar Refractivity | 114.78980000000011 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 366.3497807119999 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 = 366.63 g/mol. Edit any field — others recompute live.
