Ethyl 3-isopropoxy-2-butenoate
Basic information
- CAS
1540-21-2- Standard SMILES
CCOC(=O)C=C(C)OC(C)C- InChIKey
QWNZEPFCWKMYAS-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- Ethyl 3-isopropoxy-2-butenoate
- IUPAC
- ethyl 3-propan-2-yloxybut-2-enoate
Names & synonyms
1540-21-2Ethyl 3-isopropoxy-2-butenoateQWNZEPFCWKMYAS-UHFFFAOYSA-NDTXSID601290121Ethyl 3-(1-methylethoxy)-2-butenoateEthyl 3-[(propan-2-yl)oxy]but-2-enoateNS00048953
Database identifiers
- CAS
1540-21-2- PubChem CID
- 73760
- DTXSID
DTXSID601290121- EC Number
- 216-267-3
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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