Butane, 2-chloro-3,3-dimethyl
Basic information
- CAS
5750-00-5- Standard SMILES
CC(Cl)C(C)(C)C- InChIKey
COVFMDKBWYLRSV-UHFFFAOYSA-N- Molecular formula
- C6H13Cl
- Average molar mass
- 120.62 g/mol
- Monoisotopic mass
- 120.0705781
Names & identifiers
- Preferred name
- Butane, 2-chloro-3,3-dimethyl
- IUPAC
- 3-chloro-2,2-dimethylbutane
Names & synonyms
Butane, 2-chloro-3,3-dimethyl3-chloro-2,2-dimethylbutaneSCHEMBL2770604SCHEMBL9132629DTXSID6013516862-chloro-3,3-dimethylbutane, (pivaloylchloride)
Database identifiers
- CAS
5750-00-5- PubChem CID
- 521807
- DTXSID
DTXSID601351686- Nikkaji
- J2.879.280H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 51.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
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Compound notes
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