2,2,5,5-Tetramethyl-3-hexanol
Basic information
- CAS
55073-86-4- Standard SMILES
CC(C)(C)CC(O)C(C)(C)C- InChIKey
CFEYPBVKHMZCFR-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 2,2,5,5-Tetramethyl-3-hexanol
- IUPAC
- 2,2,5,5-tetramethylhexan-3-ol
Names & synonyms
2,2,5,5-Tetramethyl-3-hexanol55073-86-43-Hexanol, 2,2,5,5-tetramethyl-NSC25939SCHEMBL4217193-Hexanol,2,5,5-tetramethyl-DTXSID801350939NSC-259392,2,5,5-Tetramethyl-3-hexanol #AKOS013204806DA-04947
Database identifiers
- CAS
55073-86-4- PubChem CID
- 230736
- DTXSID
DTXSID801350939
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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