2,6-Dimethyl-4-octanol
Basic information
- CAS
66719-54-8- Standard SMILES
CCC(C)CC(O)CC(C)C- InChIKey
ZFOGJEKQQNVCFB-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4-octanol
- IUPAC
- 2,6-dimethyloctan-4-ol
Names & synonyms
2,6-DIMETHYL-4-OCTANOLDTXSID2032516666719-54-8RefChem:248487DTXCID002762832,6-dimethyloctan-4-olNSC408943SCHEMBL108316AKOS011899031NSC-408943
Database identifiers
- CAS
66719-54-8- PubChem CID
- 349299
- DTXSID
DTXSID20325166
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 88.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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