Butyric acid, 2-tert-butyl-3,3-dimethyl-
Basic information
- CAS
41785-81-3- Standard SMILES
CC(C)(C)C(C(=O)O)C(C)(C)C- InChIKey
CSUSKPNFQZZRGX-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- Butyric acid, 2-tert-butyl-3,3-dimethyl-
- IUPAC
- 2-tert-butyl-3,3-dimethylbutanoic acid
- English name
- 2-tert-Butyl-3,3-dimethylbutyric acid
- Molecular formula
- C10H20O2
- Molecular weight
- 172.2646
Names & synonyms
41785-81-3Di-tert-Butylacetic acidButyric acid, 2-tert-butyl-3,3-dimethyl-DTXSID00194610RefChem:331273DTXCID401171012-tert-butyl-3,3-dimethylbutanoic acid2-(tert-butyl)-3,3-dimethylbutanoic acidMFCD03413065di-t-butylacetic acidstarbld0003481SCHEMBL4553889
Show more names
2-tert-Butyl-3,3-dimethylbutyric acid
CSUSKPNFQZZRGX-UHFFFAOYSA-NAKOS0062764012-tert-Butyl-33-dimethylbutanoic acid2-tert-butyl-3,3-dimethyl-butanoic acidAS-77346D94403F844229
Database identifiers
- CAS
41785-81-3- PubChem CID
- 181711
- DTXSID
DTXSID00194610- Nikkaji
- J699.754F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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