Heptadeca-2,8,10,16-tetraen-4,6-diynyl acetate
Basic information
- CAS
5059-56-3- Standard SMILES
C=CCCCCC=CC=CC#CC#CC=CCOC(C)=O- InChIKey
SSVVJPYTBYRAMR-UHFFFAOYSA-N- Molecular formula
- C19H22O2
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.16197994
Names & identifiers
- Preferred name
- Heptadeca-2,8,10,16-tetraen-4,6-diynyl acetate
- IUPAC
- heptadeca-2,8,10,16-tetraen-4,6-diynyl acetate
Names & synonyms
5059-56-3heptadeca-2,8,10,16-tetraen-4,6-diynyl acetateDTXSID60316336Heptadeca-2,8,10,16-tetraene-4,6-diyn-1-yl acetate
Database identifiers
- CAS
5059-56-3- PubChem CID
- 327388
- DTXSID
DTXSID60316336
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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