Basic information
- CAS
23361-78-6- Standard SMILES
CCCCC(=O)OC(C)(C)C- InChIKey
SCSLUABEVMLYEA-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067982
Names & identifiers
- Preferred name
- tert-Butyl pentanoate
- IUPAC
- tert-butyl pentanoate
Names & synonyms
tert-Butyl pentanoate23361-78-6Pentanoic acid, 1,1-dimethylethyl esterDTXSID20334233RefChem:383829DTXCID30285323SCSLUABEVMLYEA-UHFFFAOYSA-Ntert-butylpentanoatetert-Butyl pentanoate #SCHEMBL1003368SCHEMBL2409867SCHEMBL3558406
Show more names
SCHEMBL4428363SCHEMBL5057480pentanoic acid, tert-butyl esterAKOS013211647pentanoic acid 1,1-dimethylethyl ester
Database identifiers
- CAS
23361-78-6- PubChem CID
- 520048
- DTXSID
DTXSID20334233- Nikkaji
- J520.341D
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 122
Related reactions
6 records
Compound notes
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