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Molecule
2-Butoxyethyl Methacrylate
CAS: 13532-94-0 · C10H18O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13532-94-0
- Molecular Formula
- C10H18O3
- Molecular Mass
- 186.25 g/mol
Identifiers
CAS Registry Number
13532-94-0
SMILES
C=C(C)C(=O)OCCOCCCC
InChI Key
DJKKWVGWYCKUFC-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O3/c1-4-5-6-12-7-8-13-10(11)9(2)3/h2,4-8H2,1,3H3
Names and Synonyms
- 2-Butoxyethyl Methacrylate Synonym
- 2-Propenoic acid, 2-methyl-, 2-butoxyethyl ester Synonym
- Methacrylic acid, 2-butoxyethyl ester Synonym
- 2-Butoxyethyl methacrylate Synonym
- 2-Butoxyethyl 2-methyl-2-propenoate Synonym
- Light Ester BO Synonym
- 2-n-Butoxyethyl methacrylate Synonym
- NSC 35170 Synonym
- 2-Butoxyethyl metharylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.25 g/mol | CAS Common Chemistry |
| 186.25099999999995 g/mol | RDKit | |
| 186.251 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCOCCCC)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O3/c1-4-5-6-12-7-8-13-10(11)9(2)3/h2,4-8H2,1,3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DJKKWVGWYCKUFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Butoxyethyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.9223999999999999 | RDKit |
| 1.9224 | RDKit | |
| Molar Refractivity | 51.50000000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 186.125594436 g/mol | RDKit |
| Boiling Point | 122 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 186.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O3.
