Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester
Basic information
- CAS
69341-75-9- Standard SMILES
CC(C)(C)CC(=O)OC(C)(C)C- InChIKey
JECSMAJWAQZWRS-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 3,3-dimethylbutanoate
Names & synonyms
69341-75-9Butanoic acid, 3,3-dimethyl-, 1,1-dimethylethyl esterDTXSID50219387RefChem:330744DTXCID70141878tert-butyl 3,3-dimethylbutanoatet-butyl t-butylacetateSCHEMBL4553890JECSMAJWAQZWRS-UHFFFAOYSA-NAKOS013211235AS-92667DA-03520
Show more names
I83502
Database identifiers
- CAS
69341-75-9- PubChem CID
- 155295
- DTXSID
DTXSID50219387- Nikkaji
- J3.751.637F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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