Basic information
- CAS
81366-80-5- Standard SMILES
CCCCCC#CCC#CCCl- InChIKey
IWSCRSCUQGVUTQ-UHFFFAOYSA-N- Molecular formula
- C11H15Cl
- Average molar mass
- 182.69 g/mol
- Monoisotopic mass
- 182.0862282
Names & identifiers
- Preferred name
- 1-Chloroundeca-2,5-diyne
- IUPAC
- 1-chloroundeca-2,5-diyne
Names & synonyms
1-CHLOROUNDECA-2,5-DIYNE81366-80-51-chloro-2,5-undecadiyneSCHEMBL7139482DTXSID90555918IWSCRSCUQGVUTQ-UHFFFAOYSA-N
Database identifiers
- CAS
81366-80-5- PubChem CID
- 14101242
- DTXSID
DTXSID90555918
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Related reactions
2 records
Compound notes
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