Undeca-4,7-diyn-6-one
Basic information
- CAS
138999-13-0- Standard SMILES
CCCC#CC(=O)C#CCCC- InChIKey
JGDZHDUGMWILOK-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- Undeca-4,7-diyn-6-one
- IUPAC
- undeca-4,7-diyn-6-one
Names & synonyms
UNDECA-4,7-DIYN-6-ONE138999-13-0DTXSID70576520RefChem:386860DTXCID90527291SCHEMBL2122281
Database identifiers
- CAS
138999-13-0- PubChem CID
- 15664336
- DTXSID
DTXSID70576520
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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