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Molecule
1-Monolaurin
CAS: 142-18-7 · C15H30O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 142-18-7
- Molecular Formula
- C15H30O4
- Molecular Mass
- 274.40 g/mol
Identifiers
CAS Registry Number
142-18-7
SMILES
CCCCCCCCCCCC(=O)OCC(O)CO
InChI Key
ARIWANIATODDMH-UHFFFAOYSA-N
InChI
InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3
Names and Synonyms
- 1-Monolaurin Systematic Name
- Dodecanoic acid, 2,3-dihydroxypropyl ester Synonym
- (±)-2,3-Dihydroxypropyl dodecanoate Synonym
- 3-Dodecanoyloxy-1,2-propanediol Synonym
- NSC 698570 Synonym
- Glycerol 1-monododecanoate Synonym
- 2,3-Dihydroxypropyl dodecanoate Synonym
- Laurin, 1-mono- Synonym
- Glycerol 1-monolaurate Synonym
- Glyceryl monolaurate Synonym
- α-Monolaurin Synonym
- 1-Monolaurin Synonym
- Glycerol α-monolaurate Synonym
- Lauric acid 1-monoglyceride Synonym
- Glycerin 1-monolaurate Synonym
- Glyceryl monododecanoate Synonym
- 1-Glyceryl laurate Synonym
- Lauric acid α-monoglyceride Synonym
- Glyceryl laurate Synonym
- Lauricidin Synonym
- Dodecanoic acid α-monoglyceride Synonym
- Glycerol 1-laurate Synonym
- 1-Monododecanoylglycerol Synonym
- (±)-Glyceryl 1-monododecanoate Synonym
- 1-Monolauroyl-rac-glycerol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 274.40 g/mol | CAS Common Chemistry |
| 274.40099999999995 g/mol | RDKit | |
| 274.401 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(O)CO)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ARIWANIATODDMH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52 °C | CAS Common Chemistry |
| Name | 1-Monolaurin | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 2.8037000000000014 | RDKit |
| 2.8037 | RDKit | |
| Molar Refractivity | 75.89560000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9333 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 274.21440944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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 = 274.40 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H30O4.
