Basic information
- CAS
92341-26-9- Standard SMILES
CCCCCC(=O)Oc1ccc(C#CC#Cc2ccc(OC(=O)CCCCC)cc2)cc1- InChIKey
QGHKREKJSWULHP-UHFFFAOYSA-N- Molecular formula
- C28H30O4
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.21440943
Names & identifiers
- Preferred name
- 4,4'-Dihexanoyloxydiphenyldiacetylene
- IUPAC
- [4-[4-(4-hexanoyloxyphenyl)buta-1,3-diynyl]phenyl] hexanoate
Names & synonyms
4,4'-Dihexanoyloxydiphenyldiacetylene92341-26-9DTXSID502389771,3-butadiyne-1,4-diylbis (1,4-phenylenehexanoate)(Buta-1,3-diyne-1,4-diyl)di(4,1-phenylene) dihexanoate
Database identifiers
- CAS
92341-26-9- PubChem CID
- 145239
- DTXSID
DTXSID50238977
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 635
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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