Propyl oct-2-ynoate
Basic information
- CAS
3910-41-6- Standard SMILES
CCCCCC#CC(=O)OCCC- InChIKey
NRWHDBNYNHTJCZ-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- Propyl oct-2-ynoate
- IUPAC
- propyl oct-2-ynoate
Names & synonyms
3910-41-6propyl oct-2-ynoateNSC190944DTXSID60959909NSC-190944
Database identifiers
- CAS
3910-41-6- PubChem CID
- 303071
- DTXSID
DTXSID60959909
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
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Related reactions
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Compound notes
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