Basic information
- CAS
16491-59-1- Standard SMILES
CCCCC#CCCOC(C)=O- InChIKey
KNTSDHAMKRDSJI-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Oct-3-ynyl acetate
- IUPAC
- oct-3-ynyl acetate
Names & synonyms
oct-3-ynyl acetate16491-59-1DTXSID80290184RefChem:366601DTXCID00241330oct-3-yn-1-yl acetate3-Octyn-1-ol, 1-acetateNSC67260NSC-67260DS-004935
Database identifiers
- CAS
16491-59-1- PubChem CID
- 249199
- DTXSID
DTXSID80290184- Nikkaji
- J3.321.585A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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