Basic information
- CAS
79356-95-9- Standard SMILES
CC(C)CC(O)CC(C)O- InChIKey
POWFRZFDXPVABI-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 6-Methylheptane-2,4-diol
- IUPAC
- 6-methylheptane-2,4-diol
Names & synonyms
6-methylheptane-2,4-diol79356-95-9NSC409980SCHEMBL2710888SCHEMBL11014952SCHEMBL29970970DTXSID70325398NSC-409980
Database identifiers
- CAS
79356-95-9- PubChem CID
- 349983
- DTXSID
DTXSID70325398- Nikkaji
- J803.228I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 81.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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