Basic information
- CAS
206554-64-5- Standard SMILES
C#CC(O)C=CCCCCCCC#CCC=CCC#CCCCCCCC=CC(O)C#C- InChIKey
PUFGWNJPJHYXPI-UHFFFAOYSA-N- Molecular formula
- C30H40O2
- Average molar mass
- 432.6 g/mol
- Monoisotopic mass
- 432.30283051
Names & identifiers
- Preferred name
- Triaconta-4,15,26-trien-1,12,18,29-tetrayne-3,28-diol
- IUPAC
- triaconta-4,15,26-trien-1,12,18,29-tetrayne-3,28-diol
Names & synonyms
triaconta-4,15,26-trien-1,12,18,29-tetrayne-3,28-diolDTXSID20327928NCI60_036982Triaconta-4,15,26-triene-1,12,18,29-tetrayne-3,28-diol
Database identifiers
- CAS
206554-64-5- PubChem CID
- 396763
- DTXSID
DTXSID20327928
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 713
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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