3-Chloro-2,2,4,4-tetramethylpentane
Basic information
- CAS
29728-48-1- Standard SMILES
CC(C)(C)C(Cl)C(C)(C)C- InChIKey
WRASWDISMFYAIS-UHFFFAOYSA-N- Molecular formula
- C9H19Cl
- Average molar mass
- 162.7 g/mol
- Monoisotopic mass
- 162.1175283
Names & identifiers
- Preferred name
- 3-Chloro-2,2,4,4-tetramethylpentane
- IUPAC
- 3-chloro-2,2,4,4-tetramethylpentane
Names & synonyms
3-Chloro-2,2,4,4-tetramethylpentane29728-48-1DTXSID20550996RefChem:278100DTXCID60501780SCHEMBL991849SCHEMBL5797290WRASWDISMFYAIS-UHFFFAOYSA-N3-chloro-2,2,4,4-tetramethyl pentane
Database identifiers
- CAS
29728-48-1- PubChem CID
- 13840539
- DTXSID
DTXSID20550996- Nikkaji
- J3.740.805K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 88.9
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Compound notes
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