((1,2-Diethylethylene)bis(p-phenylene))diacetate
Basic information
- CAS
4547-76-6- Standard SMILES
CCC(c1ccc(OC(C)=O)cc1)C(CC)c1ccc(OC(C)=O)cc1- InChIKey
GWEREDCWIUZACS-UHFFFAOYSA-N- Molecular formula
- C22H26O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.18310931
Names & identifiers
- Preferred name
- ((1,2-Diethylethylene)bis(p-phenylene))diacetate
- IUPAC
- [4-[4-(4-acetyloxyphenyl)hexan-3-yl]phenyl] acetate
Names & synonyms
SCHEMBL2246272GWEREDCWIUZACS-UHFFFAOYSA-N((1,2-Diethylethylene)bis(p-phenylene))diacetate4-(2-[4-(Acetyloxy)phenyl]-1-ethylbutyl)phenyl acetate #
Database identifiers
- CAS
4547-76-6- PubChem CID
- 585404
- DTXSID
DTXSID701046436- Nikkaji
- J156.547H
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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