Basic information
- CAS
16493-06-4- Standard SMILES
CCCCC#CCCOC(=O)C#CCCCC- InChIKey
KXLPXAUDQJPZKD-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- Oct-3-yn-1-yl hept-2-ynoate
- IUPAC
- oct-3-ynyl hept-2-ynoate
Names & synonyms
16493-06-4oct-3-yn-1-yl hept-2-ynoateNSC67295DTXSID10290197NSC-67295
Database identifiers
- CAS
16493-06-4- PubChem CID
- 249233
- DTXSID
DTXSID10290197
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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