Basic information
- CAS
64813-10-1- Standard SMILES
C=CCCCCCC=CC(O)C#CC#CC(O)C=C- InChIKey
OLUQMFYBNOJBQQ-UHFFFAOYSA-N- Molecular formula
- C17H22O2
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.16197994
Overview
1,9,16-Heptadecatriene-4,6-diyne-3,8-diol has been reported in Dendropanax arboreus, Artemisia dracunculus, and other organisms with data available.
Names & identifiers
- Preferred name
- 1,9,16-Heptadecatriene-4,6-diyne-3,8-diol
- IUPAC
- heptadeca-1,9,16-trien-4,6-diyne-3,8-diol
Names & synonyms
1,9,16-Heptadecatriene-4,6-diyne-3,8-diol64813-10-1DTXSID201270553RefChem:907071DTXCID201701154heptadeca-1,9,16-trien-4,6-diyne-3,8-diolheptadeca-1,9,16-triene-4,6-diyne-3,8-diol
Database identifiers
- CAS
64813-10-1- PubChem CID
- 1446
- DTXSID
DTXSID201270553
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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