Basic information
- CAS
42034-95-7- Standard SMILES
CCCCCCCCCCC(=O)OCC#CC#CCOC(=O)CCCCCCCCCC- InChIKey
GQFQOHGEHJTKMI-UHFFFAOYSA-N- Molecular formula
- C28H46O4
- Average molar mass
- 446.7 g/mol
- Monoisotopic mass
- 446.33960994
Names & identifiers
- Preferred name
- Hexa-2,4-diyne-1,6-diyl diundecanoate
- IUPAC
- 6-undecanoyloxyhexa-2,4-diynyl undecanoate
Names & synonyms
42034-95-7hexa-2,4-diyne-1,6-diyl diundecanoateNSC156584DTXSID90303092NSC-156584
Database identifiers
- CAS
42034-95-7- PubChem CID
- 291382
- DTXSID
DTXSID90303092
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 23
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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