Methyl 2-hexadecynoate
Basic information
- CAS
63125-05-3- Standard SMILES
CCCCCCCCCCCCCC#CC(=O)OC- InChIKey
YJRBCRUHENXHFY-UHFFFAOYSA-N- Molecular formula
- C17H30O2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.2245802
Names & identifiers
- Preferred name
- Methyl 2-hexadecynoate
- IUPAC
- methyl hexadec-2-ynoate
- English name
- methyl 2-hexadecynoate
- Molecular formula
- C17H30O2
- Molecular weight
- 266.42
Names & synonyms
Methyl 2-hexadecynoate63125-05-32-Hexadecynoic acid, methyl esterDTXSID20212466RefChem:157338DTXCID20134957methyl hexadec-2-ynoateSCHEMBL9336107NSC289581NSC 289581NSC-289581DB-220988
Database identifiers
- CAS
63125-05-3- PubChem CID
- 196408
- DTXSID
DTXSID20212466
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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