Basic information
- CAS
13979-17-4- Standard SMILES
CCC(=CC(=O)OC)CC- InChIKey
KHCHUBDYIXGFBM-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- Methyl 3-ethylpent-2-enoate
- IUPAC
- methyl 3-ethylpent-2-enoate
- English name
- 3-Ethyl-2-pentenoic acid methyl ester
- Molecular weight
- 0
Names & synonyms
methyl 3-ethylpent-2-enoate13979-17-43-ethyl pent-2-enoic acid methyl ester3-Ethyl-2-pentenoic acid methyl esterMethyl 3-ethyl-2-pentenoate2-Pentenoic acid, 3-ethyl-, methyl estermethyl3-ethylpent-2-enoateSCHEMBL5562579DTXSID60343228AKOS0175686633-ethyl-pent-2-enoic acid methyl esterEN300-99862
Database identifiers
- CAS
13979-17-4- PubChem CID
- 588380
- DTXSID
DTXSID60343228- Nikkaji
- J124.323C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Related reactions
3 records
Compound notes
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