2-Octadecyne
Basic information
- CAS
61847-97-0- Standard SMILES
CC#CCCCCCCCCCCCCCCC- InChIKey
WXNOCMKVJXUPOC-UHFFFAOYSA-N- Molecular formula
- C18H34
- Average molar mass
- 250.5 g/mol
- Monoisotopic mass
- 250.26605109
Names & identifiers
- Preferred name
- 2-Octadecyne
- IUPAC
- octadec-2-yne
Names & synonyms
2-Octadecyneoctadec-2-yneSCHEMBL512564SCHEMBL1792259SCHEMBL5166993SCHEMBL5985868SCHEMBL9250878SCHEMBL9523655DTXSID20135120861847-97-0
Database identifiers
- CAS
61847-97-0- PubChem CID
- 521992
- DTXSID
DTXSID201351208
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…