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1-Monomyristin
CAS: 75685-84-6 | C17H34O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75685-84-6
Molecular Formula:
C17H34O4
Molecular Mass:
302.46 g/mol
Names and Synonyms:
1-Monomyristin
Tetradecanoic acid, 2,3-dihydroxypropyl ester
Myristin, 1-mono-
Glyceryl myristate
Glycerol α-monomyristate
1-Monomyristin
Myristic acid 1-monoglyceride
α-Monomyristin
Glycerol 1-myristate
Myristic acid α-monoglyceride
Tetradecanoic acid α-monoglyceride
1-Monotetradecanoylglycerol
1-Monomyristoyl-rac-glycerol
(±)-2,3-Dihydroxypropyl tetradecanoate
NSC 404225
Glycerol 1-monotetradecanoate
2,3-Dihydroxypropyl tetradecanoate
1-Myristoyl-rac-glycerol
2,3-Dihydroxypropyltetradecanoate
Identifiers:
SMILES:
CCCCCCCCCCCCCC(=O)OCC(O)CO
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
Key Properties
Melting Point
67.3 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 302.46 g/mol | CAS Common Chemistry |
| 302.455 g/mol | RDKit | |
| 302.245709568 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 |
| Molar Refractivity | 85.12960000000005 | RDKit |
