Basic information
- CAS
1823869-52-8- Standard SMILES
CC(C)CCCC(C)C(O)CO- InChIKey
KJEPWFRZPBOMID-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Names & identifiers
- Preferred name
- 3,7-Dimethyloctane-1,2-diol
- IUPAC
- 3,7-dimethyloctane-1,2-diol
Names & synonyms
3,7-dimethyloctane-1,2-diol1823869-52-8DTXSID901307745
Database identifiers
- CAS
1823869-52-8- PubChem CID
- 7887
- DTXSID
DTXSID901307745
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 102
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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