Basic information
- CAS
71648-27-6- Standard SMILES
CCCCC(CC)C(=O)OC(C)(C)C- InChIKey
UWNNZXDNLPNGQJ-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- tert-Butyl 2-ethylhexanoate
- IUPAC
- tert-butyl 2-ethylhexanoate
Names & synonyms
tert-Butyl 2-ethylhexanoate71648-27-6t-Butyl 2-ethylhexanoateEINECS 275-755-4SCHEMBL525646tert-Butyl 2-ethylhexanoate #DTXSID70992221AKOS013211247Hexanoic acid, 2-ethyl-, 1,1-dimethylethyl ester
Database identifiers
- CAS
71648-27-6- PubChem CID
- 545312
- DTXSID
DTXSID70992221- Nikkaji
- J298.988C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Related reactions
1 records
Compound notes
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