Butyl 2-ethylbutyrate
Basic information
- CAS
5129-48-6- Standard SMILES
CCCCOC(=O)C(CC)CC- InChIKey
YARHPYLJZOUSGU-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Overview
Butyl 2-ethylbutyrate has been reported in Acca sellowiana with data available.
Names & identifiers
- Preferred name
- Butyl 2-ethylbutyrate
- IUPAC
- butyl 2-ethylbutanoate
- English name
- butyl 2-ethylbutyrate
- Molecular formula
- C10H20O2
- Molecular weight
- 172.2646
Names & synonyms
Butyl 2-ethylbutyratebutyl 2-ethylbutanoate5129-48-6EINECS 225-872-1n-Butylalkohol Athyl-n-ButyratSCHEMBL1759482DTXSID60199287AKOS017416995NS00032252Q63396090Butanoic acid, 2-ethyl-, butyl ester2-Ethylbutyric acid butyl ester
Show more names
2-Ethylbutanoic acid butyl ester
Database identifiers
- CAS
5129-48-6- PubChem CID
- 78807
- DTXSID
DTXSID60199287- EC Number
- 225-872-1
- Nikkaji
- J203.321F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- LogP
- 3.686 · 3.686 (est)
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Related reactions
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Compound notes
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