Pentanoic acid, 2-ethyl-2-methyl-, methyl ester
Basic information
- CAS
37974-23-5- Standard SMILES
CCCC(C)(CC)C(=O)OC- InChIKey
JVBYMEHKMMCQBG-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- Pentanoic acid, 2-ethyl-2-methyl-, methyl ester
- IUPAC
- methyl 2-ethyl-2-methylpentanoate
- English name
- 2-Ethyl-2-methylvaleric acid methyl ester
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
Pentanoic acid, 2-ethyl-2-methyl-, methyl ester37974-23-5DTXSID50334483RefChem:368177DTXCID60285573Methyl .alpha.-ethyl-.alpha.-methylvalerateMethyl 2-ethyl-2-methylpentanoateSCHEMBL13317330JVBYMEHKMMCQBG-UHFFFAOYSA-NMethyl 2-ethyl-2-methylpentanoate #2-Ethyl-2-methylvaleric acid methyl ester
Database identifiers
- CAS
37974-23-5- PubChem CID
- 520876
- DTXSID
DTXSID50334483- Nikkaji
- J123.947C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 164.4 · 164.4±8.0 °C(Predicted)
- Density
- 0.876 · 0.876±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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