Basic information
- CAS
64822-81-7- Standard SMILES
CCCCCC(O)C#CI- InChIKey
OGLPOSUJIRPIMI-UHFFFAOYSA-N- Molecular formula
- C8H13IO
- Average molar mass
- 252.09 g/mol
- Monoisotopic mass
- 252.00111
Names & identifiers
- Preferred name
- 1-Octyn-3-ol, 1-iodo-
- IUPAC
- 1-iodooct-1-yn-3-ol
Names & synonyms
1-Octyn-3-ol, 1-iodo-64822-81-71-iodooct-1-yn-3-olSCHEMBL11702097DTXSID00983420
Database identifiers
- CAS
64822-81-7- PubChem CID
- 103459
- DTXSID
DTXSID00983420- Nikkaji
- J1.623.637C
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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