4-Octyn-3-one
Basic information
- CAS
7299-56-1- Standard SMILES
CCCC#CC(=O)CC- InChIKey
FHMWCQNNAIHYRU-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 4-Octyn-3-one
- IUPAC
- oct-4-yn-3-one
Names & synonyms
4-octyn-3-one7299-56-1RefChem:295187Oct-4-yn-3-oneSCHEMBL16939030DTXSID601317523
Database identifiers
- CAS
7299-56-1- PubChem CID
- 11615163
- DTXSID
DTXSID601317523- Nikkaji
- J1.016.608J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
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Related reactions
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Compound notes
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