Basic information
- CAS
4486-59-3- Standard SMILES
C/C=C/C(O)C(O)/C=C/C- InChIKey
OIBIEVMGTDETCN-GGWOSOGESA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2,6-Octadiene-4,5-diol
- IUPAC
- (2E,6E)-octa-2,6-diene-4,5-diol
- English name
- 2,6-Octadiene-4,5-diol
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
2,6-Octadiene-4,5-diol4486-59-3(2E,6E)-octa-2,6-diene-4,5-diolNSC234449(2E,6E)-2,6-Octadiene-4,5-diolSCHEMBL5381985DTXSID20418623OIBIEVMGTDETCN-GGWOSOGESA-NNSC-234449(2E,6E)-2,6-Octadiene-4,5-diol #
Database identifiers
- CAS
4486-59-3- PubChem CID
- 5366238
- DTXSID
DTXSID20418623- Nikkaji
- J110.627I、J803.412E
Properties
Computed structural properties
- XLogP
- 0.7
- 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
- 111
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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