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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
Names and Synonyms:
Vinyl Laurate
Dodecanoic acid, ethenyl ester
Lauric acid, vinyl ester
Vinyl laurate
Vinyl dodecanoate
Dodecanoic acid vinyl ester
NSC 32650
Identifiers:
SMILES:
C=COC(=O)CCCCCCCCCCC
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
Key Properties
Boiling Point
123 °C
CAS Common Chemistry
Density
0.86 g/cm³
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 | 226.36 g/mol | CAS Common Chemistry |
| 226.35999999999993 g/mol | RDKit | |
| 226.193280072 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8641 g/cm3 @ Temp: 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 |
| Molar Refractivity | 68.13300000000005 | RDKit |
