Basic information
- CAS
5059-56-3- Standard SMILES
C=CCCCC/C=C/C=C/C#CC#C/C=C/COC(C)=O- InChIKey
SSVVJPYTBYRAMR-LXIBMNCBSA-N- Molecular formula
- C19H22O2
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.16197994
Names & identifiers
- Preferred name
- Bohlmann K3505
- IUPAC
- [(2E,8E,10E)-heptadeca-2,8,10,16-tetraen-4,6-diynyl] acetate
Names & synonyms
BOHLMANN K3505NSC3023025059-56-3NSC-302302
Database identifiers
- CAS
5059-56-3- PubChem CID
- 5458643
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
Loading…