2,6-Dimethyl-1,6-heptadien-4-ol
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Basic information
- CAS
103260-93-1- Standard SMILES
C=C(C)CC(O)CC(=C)C- InChIKey
BUCLVUABDUWMHW-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
Names & identifiers
- Preferred name
- 2,6-Dimethyl-1,6-heptadien-4-ol
- IUPAC
- 2,6-dimethylhepta-1,6-dien-4-ol
- English name
- 2,6-Dimethyl-1,6-heptadien-4-ol
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
2,6-Dimethyl-1,6-heptadien-4-ol29765-76-22,6-dimethylhepta-1,6-dien-4-oldimethallylcarbinolSCHEMBL11650478DTXSID40952190MFCD00026061AKOS024333299
Database identifiers
- CAS
103260-93-1- Nikkaji
- J1.885.923H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 207.6 · 207.6±9.0 °C(Predicted)
- Density
- 0.851 · 0.851±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- 14.67 · 14.67±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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