Basic information
- Standard SMILES
CCCC(O)CC(O)CC- InChIKey
WYNVIVRXHYGNRT-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 3,5-Octanediol
- IUPAC
- octane-3,5-diol
Names & synonyms
3,5-OctanediolOctane-3,5-diol24892-55-5Ethyl-1,3-hexanediolSCHEMBL431429SCHEMBL6254334SCHEMBL6434498SCHEMBL6435033SCHEMBL28008377
Database identifiers
- PubChem CID
- 9812809
- Nikkaji
- J112.153G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 73
Related reactions
3 records
Compound notes
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