2,4,4,7-Tetramethyloctane
Basic information
- CAS
35866-96-7- Standard SMILES
CC(C)CCC(C)(C)CC(C)C- InChIKey
QYUWMFZODNLLRJ-UHFFFAOYSA-N- Molecular formula
- C12H26
- Average molar mass
- 170.33 g/mol
- Monoisotopic mass
- 170.20345083
Names & identifiers
- Preferred name
- 2,4,4,7-Tetramethyloctane
- IUPAC
- 2,4,4,7-tetramethyloctane
Names & synonyms
2,4,4,7-TETRAMETHYLOCTANE35866-96-7Octane, 2,4,4,7-tetramethyl-SCHEMBL10661408SCHEMBL17607439SCHEMBL27237566DTXSID90612116QYUWMFZODNLLRJ-UHFFFAOYSA-N
Database identifiers
- CAS
35866-96-7- PubChem CID
- 21297045
- DTXSID
DTXSID90612116
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
- 109
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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