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Molecule
2-Hydroxytetradecanoic Acid
CAS: 2507-55-3 · C14H28O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2507-55-3
- Molecular Formula
- C14H28O3
- Molecular Mass
- 244.37 g/mol
Identifiers
CAS Registry Number
2507-55-3
SMILES
CCCCCCCCCCCCC(O)C(=O)O
InChI Key
JYZJYKOZGGEXSX-UHFFFAOYSA-N
InChI
InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
Names and Synonyms
- 2-Hydroxytetradecanoic Acid Systematic Name
- Tetradecanoic acid, 2-hydroxy- Synonym
- 2-Hydroxytetradecanoic acid Synonym
- α-Hydroxymyristic acid Synonym
- 2-Hydroxymyristic acid Synonym
- α-Hydroxytetradecanoic acid Synonym
- (±)-α-Hydroxymyristic acid Synonym
- DL-2-Hydroxymyristic acid Synonym
- DL-2-Hydroxytetradecanoic acid Synonym
- (±)-2-Hydroxytetradecanoic acid Synonym
- NSC 18938 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.37 g/mol | CAS Common Chemistry |
| 244.37499999999997 g/mol | RDKit | |
| 244.375 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17) | CAS Common Chemistry |
| InChI Key | InChIKey=JYZJYKOZGGEXSX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88.2 °C | CAS Common Chemistry |
| Name | 2-Hydroxytetradecanoic acid | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 3.742900000000002 | RDKit |
| 3.7429 | RDKit | |
| Molar Refractivity | 70.10360000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9286 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 244.203844756 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 244.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H28O3.
