Back to Search
Molecule
Vinyl Laurate
CAS: 2146-71-6 · C14H26O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2146-71-6
- Molecular Formula
- C14H26O2
- Molecular Mass
- 226.36 g/mol
Identifiers
CAS Registry Number
2146-71-6
SMILES
C=COC(=O)CCCCCCCCCCC
InChI Key
GLVVKKSPKXTQRB-UHFFFAOYSA-N
InChI
InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h4H,2-3,5-13H2,1H3
Names and Synonyms
- Vinyl Laurate Synonym
- Dodecanoic acid, ethenyl ester Synonym
- Lauric acid, vinyl ester Synonym
- Vinyl laurate Synonym
- Vinyl dodecanoate Synonym
- Dodecanoic acid vinyl ester Synonym
- NSC 32650 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.36 g/mol | CAS Common Chemistry |
| 226.35999999999993 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8641 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 123 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=C)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h4H,2-3,5-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GLVVKKSPKXTQRB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Vinyl laurate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 4.594000000000005 | RDKit |
| 4.594 | RDKit | |
| 4.47 | chempirical lib | |
| Molar Refractivity | 68.13300000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7857 | RDKit |
| 0.79 | chempirical lib | |
| Exact Mass | 226.193280072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 226.36 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H26O2.
