2,4,4-Trimethyl-3-hexanol
Basic information
- CAS
66793-92-8- Standard SMILES
CCC(C)(C)C(O)C(C)C- InChIKey
PDIVDRVTPZNRDZ-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 2,4,4-Trimethyl-3-hexanol
- IUPAC
- 2,4,4-trimethylhexan-3-ol
Names & synonyms
2,4,4-TRIMETHYL-3-HEXANOL66793-92-8DTXSID00334892RefChem:1059570DTXCID502859812,4,4-trimethylhexan-3-ol3-Hexanol, 2,4,4-trimethyl-2,4,4-trimethyl-hexan-3-olSCHEMBL10773007
Database identifiers
- CAS
66793-92-8- PubChem CID
- 522226
- DTXSID
DTXSID00334892
Properties
Computed structural properties
- XLogP
- 3
- 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
- 94.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
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Compound notes
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