3,4-Dimethyl-1,5-hexadiene-3,4-diol
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Basic information
- CAS
2781-29-5- Standard SMILES
C=CC(C)(O)C(C)(O)C=C- InChIKey
VGZAQMIDBDYBRE-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 3,4-Dimethyl-1,5-hexadiene-3,4-diol
- IUPAC
- 3,4-dimethylhexa-1,5-diene-3,4-diol
- English name
- 3,4-Dimethyl-1,5-hexadiene-3,4-diol
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
3,4-Dimethyl-1,5-hexadiene-3,4-diol2781-29-5DTXSID40336754RefChem:271153DTXCID302878423,4-dimethylhexa-1,5-diene-3,4-diol1,5-Hexadiene-3,4-diol, 3,4-dimethyl-SCHEMBL28598425VGZAQMIDBDYBRE-UHFFFAOYSA-N3,4-dimethyl-hexa-1,5-diene-3,4-diol3,4-Dimethyl-1,5-hexadiene-3,4-diol #
Database identifiers
- CAS
2781-29-5- PubChem CID
- 536091
- DTXSID
DTXSID40336754- Nikkaji
- J113.963K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- 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
- 135
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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