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Molecule
2-Naphthyl Myristate
CAS: 7262-80-8 · C24H34O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7262-80-8
- Molecular Formula
- C24H34O2
- Molecular Mass
- 354.53 g/mol
Identifiers
CAS Registry Number
7262-80-8
SMILES
CCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1
InChI Key
SKRXBZIJSNMVFA-UHFFFAOYSA-N
InChI
InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(25)26-23-19-18-21-15-13-14-16-22(21)20-23/h13-16,18-20H,2-12,17H2,1H3
Names and Synonyms
- 2-Naphthyl Myristate Synonym
- Tetradecanoic acid, 2-naphthalenyl ester Synonym
- Myristic acid, 2-naphthyl ester Synonym
- β-Naphthyl myristate Synonym
- 2-Naphthalenyl tetradecanoate Synonym
- NSC 122046 Synonym
- 2-Naphthyl myristate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.53 g/mol | CAS Common Chemistry |
| 354.534 g/mol | RDKit | |
| Canonical SMILES | O=C(OC=1C=CC=2C=CC=CC2C1)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(25)26-23-19-18-21-15-13-14-16-22(21)20-23/h13-16,18-20H,2-12,17H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SKRXBZIJSNMVFA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64-65 °C | CAS Common Chemistry |
| Name | 2-Naphthyl myristate | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 7.446300000000007 | RDKit |
| 7.4463 | RDKit | |
| Molar Refractivity | 110.66100000000009 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5417 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 354.255880328 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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 = 354.53 g/mol. Edit any field — others recompute live.
