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Molecule
1-Monomyristin
CAS: 75685-84-6 · C17H34O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 75685-84-6
- Molecular Formula
- C17H34O4
- Molecular Mass
- 302.46 g/mol
Identifiers
CAS Registry Number
75685-84-6
SMILES
CCCCCCCCCCCCCC(=O)OCC(O)CO
InChI Key
DCBSHORRWZKAKO-UHFFFAOYSA-N
InChI
InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3
Names and Synonyms
- 1-Monomyristin Systematic Name
- Tetradecanoic acid, 2,3-dihydroxypropyl ester Synonym
- Myristin, 1-mono- Synonym
- Glyceryl myristate Synonym
- Glycerol α-monomyristate Synonym
- 1-Monomyristin Synonym
- Myristic acid 1-monoglyceride Synonym
- α-Monomyristin Synonym
- Glycerol 1-myristate Synonym
- Myristic acid α-monoglyceride Synonym
- Tetradecanoic acid α-monoglyceride Synonym
- 1-Monotetradecanoylglycerol Synonym
- 1-Monomyristoyl-rac-glycerol Synonym
- (±)-2,3-Dihydroxypropyl tetradecanoate Synonym
- NSC 404225 Synonym
- Glycerol 1-monotetradecanoate Synonym
- 2,3-Dihydroxypropyl tetradecanoate Synonym
- 1-Myristoyl-rac-glycerol Synonym
- 2,3-Dihydroxypropyltetradecanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 302.46 g/mol | CAS Common Chemistry |
| 302.455 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(O)CO)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DCBSHORRWZKAKO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67.3 °C | CAS Common Chemistry |
| Name | 1-Monomyristin | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 3.583900000000002 | RDKit |
| 3.5839 | RDKit | |
| Molar Refractivity | 85.12960000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9412 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 302.245709568 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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.
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MW = 302.46 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H34O4.
