4-Methyl-2,6-octadiene-4,5-diol
Basic information
- CAS
56335-74-1- Standard SMILES
CC=CC(O)C(C)(O)C=CC- InChIKey
NXBKPRBBLDQSOD-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 4-Methyl-2,6-octadiene-4,5-diol
- IUPAC
- 4-methylocta-2,6-diene-4,5-diol
- English name
- 4-Methyl-2,6-octadiene-4,5-diol
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
4-Methyl-2,6-octadiene-4,5-diol56335-74-1DTXSID3013046504-methylocta-2,6-diene-4,5-diolDB-3060082,6-Octadiene-4,5-diol, 4-methyl-
Database identifiers
- CAS
56335-74-1- PubChem CID
- 559100
- DTXSID
DTXSID301304650
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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