Basic information
- CAS
66793-74-6- Standard SMILES
CCC(C)(C)C(C)(O)CC- InChIKey
QWJDXMFJOMPTCV-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 3,4,4-Trimethylhexan-3-ol
- IUPAC
- 3,4,4-trimethylhexan-3-ol
Names & synonyms
3,4,4-trimethylhexan-3-ol66793-74-63-Hexanol, 3,4,4-trimethyl-3,4,4-TRIMETHYL-3-HEXANOL3,4,4-trimethyl-hexan-3-olSCHEMBL9488071DTXSID40334891
Database identifiers
- CAS
66793-74-6- PubChem CID
- 522225
- DTXSID
DTXSID40334891
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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