Basic information
- CAS
2050-00-2- Standard SMILES
CCCC(=O)OC(C)(C)CC- InChIKey
VTZSXMMBJHMLEE-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- tert-Amyl butyrate
- IUPAC
- 2-methylbutan-2-yl butanoate
Names & synonyms
tert-Amyl butyrate2050-00-2UN 2620Butanoic acid, 1,1-dimethylpropyl esterRefChem:188162VTZSXMMBJHMLEE-UHFFFAOYSA-NBUTYRIC ACID, NEOPENTYL ESTER2-methylbutan-2-yl butanoatetert-Pentylbutyratetert-Pentyl butyrate #1,1-dimethylpropylbutanoateSCHEMBL131932
Show more names
SCHEMBL1998916SCHEMBL5069213SCHEMBL5069214DTXSID60942674
Database identifiers
- CAS
2050-00-2- PubChem CID
- 519785
- DTXSID
DTXSID60942674- Nikkaji
- J77.610F
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
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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