Methyl 2-ethylpentanoate
Basic information
- CAS
816-16-0- Standard SMILES
CCCC(CC)C(=O)OC- InChIKey
IVNZXKXOTJLKHM-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- Methyl 2-ethylpentanoate
- IUPAC
- methyl 2-ethylpentanoate
- English name
- 2-Ethylpentanoic acid methyl ester
- Molecular weight
- 0
Names & synonyms
Methyl 2-ethylpentanoatePentanoic acid, 2-ethyl-, methyl esterValeric acid, 2-ethyl-, methyl esterMethyl .alpha.-ethylvalerateDTXSID601002075RefChem:354253Methyl alpha-ethylvalerateDTXCID501429014IVNZXKXOTJLKHM-UHFFFAOYSA-N816-16-02-Ethylpentanoic acid methyl esterstarbld0006668
Show more names
2-Ethylvaleric acid methyl ester
SCHEMBL1849772SCHEMBL7674426SCHEMBL8862222SCHEMBL9175169SCHEMBL10463263SCHEMBL11315181SCHEMBL11353718
Database identifiers
- CAS
816-16-0- PubChem CID
- 94189
- DTXSID
DTXSID601002075- Nikkaji
- J124.053F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.4
Chemistry & industry
Applications
Uses2-Ethylpentanoic Acid Methyl Ester is an methyl ester analog of 2-Ethylpentanoic Acid(E818000). 2-Ethylpentanoic Acid is a known metabolite and analog of valproic acid (V094750). Experimental results have shown potential acute anticonvulsant and toxic effects exhibited by 2-Ethylpentanoic Acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…