Basic information
- CAS
22607-11-0- Standard SMILES
CC(C)C(O)C(O)C(C)C- InChIKey
UEGKGPFVYRPVCC-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 2,5-Dimethyl-3,4-hexanediol
- IUPAC
- 2,5-dimethylhexane-3,4-diol
- English name
- 2,5-Dimethyl-3,4-hexanediol
- Molecular weight
- 0
Names & synonyms
2,5-Dimethyl-3,4-hexanediol22607-11-0DTXSID50338966RefChem:247575DTXCID802900482,5-dimethylhexane-3,4-dioldiisopropylglycolSCHEMBL106930UEGKGPFVYRPVCC-UHFFFAOYSA-Nmeso-2,5-Dimethyl-3,4-hexanediol2,5-Dimethyl-3,4-hexanediol, mesoNS00096323
Database identifiers
- CAS
22607-11-0- PubChem CID
- 552199
- DTXSID
DTXSID50338966- Nikkaji
- J113.966E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 77.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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