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Molecule
4-(2-Oxiranylmethoxy)Butyl 2-Propenoate
CAS: 119692-59-0 · C10H16O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 119692-59-0
- Molecular Formula
- C10H16O4
- Molecular Mass
- 200.23 g/mol
Identifiers
CAS Registry Number
119692-59-0
SMILES
C=CC(=O)OCCCCOCC1CO1
InChI Key
USWANRSZMQLWTG-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O4/c1-2-10(11)13-6-4-3-5-12-7-9-8-14-9/h2,9H,1,3-8H2
Names and Synonyms
- 4-(2-Oxiranylmethoxy)Butyl 2-Propenoate Systematic Name
- 2-Propenoic acid, 4-(2-oxiranylmethoxy)butyl ester Synonym
- 2-Propenoic acid, 4-(oxiranylmethoxy)butyl ester Synonym
- 4-(2-Oxiranylmethoxy)butyl 2-propenoate Synonym
- 1,4-Butylene glycol glycidyl ether acrylate Synonym
- 4-Hydroxybutyl acrylate glycidyl ether Synonym
- 4HBAGE Synonym
- 4-Glycidoxybutyl acrylate Synonym
- 4-(Glycidyloxy)butyl acrylate Synonym
- 1,4-Butanediol monoglycidyl ether monoacrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.23 g/mol | CAS Common Chemistry |
| 200.23399999999998 g/mol | RDKit | |
| 200.234 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCCCOCC1OC1)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O4/c1-2-10(11)13-6-4-3-5-12-7-9-8-14-9/h2,9H,1,3-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=USWANRSZMQLWTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(2-Oxiranylmethoxy)butyl 2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 48.06 Ų | RDKit |
| 44.76 Ų | chempirical lib | |
| LogP | 0.9111999999999998 | RDKit |
| 0.9112 | RDKit | |
| Molar Refractivity | 50.949000000000034 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 200.104858992 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
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MW = 200.23 g/mol. Edit any field — others recompute live.
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