Basic information
- CAS
28884-88-0- Standard SMILES
CCCCC#CC(=O)CCCCC- InChIKey
FDVRWEJPVWVEDC-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- 7-Dodecyn-6-one
- IUPAC
- dodec-7-yn-6-one
Names & synonyms
7-Dodecyn-6-one28884-88-0DTXSID60311705RefChem:310715DTXCID60262829dodec-7-yn-6-oneNSC244942NSC-244942
Database identifiers
- CAS
28884-88-0- PubChem CID
- 316631
- DTXSID
DTXSID60311705
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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