2,3,6,6-Tetramethyloctane
Basic information
- CAS
62199-33-1- Standard SMILES
CCC(C)(C)CCC(C)C(C)C- InChIKey
CVRMZIOMFWYAPV-UHFFFAOYSA-N- Molecular formula
- C12H26
- Average molar mass
- 170.33 g/mol
- Monoisotopic mass
- 170.20345083
Names & identifiers
- Preferred name
- 2,3,6,6-Tetramethyloctane
- IUPAC
- 2,3,6,6-tetramethyloctane
Names & synonyms
2,3,6,6-TETRAMETHYLOCTANE62199-33-1SCHEMBL304877SCHEMBL304878SCHEMBL2379416SCHEMBL8618739SCHEMBL9717845DTXSID20699970
Database identifiers
- CAS
62199-33-1- PubChem CID
- 53428906
- DTXSID
DTXSID20699970
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 111
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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