3-Iodooct-2-en-1-ol
Basic information
- CAS
63093-31-2- Standard SMILES
CCCCCC(I)=CCO- InChIKey
JATYJXXVZMPWOH-UHFFFAOYSA-N- Molecular formula
- C8H15IO
- Average molar mass
- 254.11 g/mol
- Monoisotopic mass
- 254.01676
Names & identifiers
- Preferred name
- 3-Iodooct-2-en-1-ol
- IUPAC
- 3-iodooct-2-en-1-ol
- English name
- 3-Iodo-oct-2-en-1-ol
- Molecular formula
- C8H15IO
- Molecular weight
- 254.11
Names & synonyms
3-iodooct-2-en-1-ol63093-31-2SCHEMBL8112642DTXSID103907623-Iodo-oct-2-en-1-ol2-Octen-1-ol, 3-iodo-, (2Z)-
Database identifiers
- CAS
63093-31-2- PubChem CID
- 3261111
- DTXSID
DTXSID10390762
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.4
Physicochemical properties
- Boiling point
- 108 °C · 108 °C(Press: 0.05 Torr)
- Density
- 1.492 · 1.492±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.6 · 13.600±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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