1,8,10-Heptadecatriene-4,6-diyne-3,12-diol
Basic information
- CAS
143966-10-3- Standard SMILES
C=CC(O)C#CC#CC=CC=CC(O)CCCCC- InChIKey
ADJNQGJVAJRCCO-UHFFFAOYSA-N- Molecular formula
- C17H22O2
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.16197994
Names & identifiers
- Preferred name
- 1,8,10-Heptadecatriene-4,6-diyne-3,12-diol
- IUPAC
- heptadeca-1,8,10-trien-4,6-diyne-3,12-diol
Names & synonyms
SCHEMBL29381168DTXSID2012686511,8,10-Heptadecatriene-4,6-diyne-3,12-diolHeptadeca-1,8,10-triene-4,6-diyne-3,12-diol143966-10-3
Database identifiers
- CAS
143966-10-3- PubChem CID
- 85658802
- DTXSID
DTXSID201268651
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…