Basic information
- CAS
4723-10-8- Standard SMILES
C=C(C)C(O)C(O)C(=C)C- InChIKey
DXPGGBHPAUGULX-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1,5-hexadiene-3,4-diol
- IUPAC
- 2,5-dimethylhexa-1,5-diene-3,4-diol
- English name
- 2,5-Dimethyl-1,5-hexadiene-3,4-diol
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
2,5-Dimethyl-1,5-hexadiene-3,4-diol4723-10-82,5-dimethylhexa-1,5-diene-3,4-diolNSC975211,4-diol, 2,5-dimethyl-SCHEMBL7564616DTXSID60294640DXPGGBHPAUGULX-UHFFFAOYSA-NNSC-975211,5-Hexadiene-3,4-diol, 2,5-dimethyl-
Database identifiers
- CAS
4723-10-8- PubChem CID
- 263169
- DTXSID
DTXSID60294640- Nikkaji
- J121.710K
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 131
Physicochemical properties
- Melting point
- 41.5 °C · 41.5 °C
- Boiling point
- 103 · 103-104 °C(Press: 0.10 Torr)
- Density
- 0.985 g/cm3 · 0.985 g/cm3(Temp: 18 °C)
- pka
- 13.36 · 13.36±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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