Hexadecanoic acid, (3-bromoprop-2-ynyl) ester
Basic information
- CAS
157336-02-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC#CBr- InChIKey
JQBJDBDGJKFQAH-UHFFFAOYSA-N- Molecular formula
- C19H33BrO2
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 372.1663924
Names & identifiers
- Preferred name
- Hexadecanoic acid, (3-bromoprop-2-ynyl) ester
- IUPAC
- 3-bromoprop-2-ynyl hexadecanoate
Names & synonyms
Hexadecanoic acid, (3-bromoprop-2-ynyl) ester3-Bromo-2-propynyl palmitate #JQBJDBDGJKFQAH-UHFFFAOYSA-NDTXSID8010167553-Bromoprop-2-yn-1-yl hexadecanoate157336-02-2
Database identifiers
- CAS
157336-02-2- PubChem CID
- 537302
- DTXSID
DTXSID801016755
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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