Basic information
- CAS
7717-29-5- Standard SMILES
CCCCOC(=O)c1ccccc1C(=O)OCCOC(=O)c1ccccc1C(=O)OCCCC- InChIKey
UFRJPXAJBVSIQI-UHFFFAOYSA-N- Molecular formula
- C26H30O8
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.19406791
Names & identifiers
- Preferred name
- 2-O-[2-(2-butoxycarbonylbenzoyl)oxyethyl] 1-O-butyl benzene-1,2-dicarboxylate
- IUPAC
- 2-O-[2-(2-butoxycarbonylbenzoyl)oxyethyl] 1-O-butyl benzene-1,2-dicarboxylate
Names & synonyms
7717-29-5NSC68025SCHEMBL9575450DTXSID20998430NSC-68025Dibutyl 2,2'-ethane-1,2-diyl dibenzene-1,2-dicarboxylate
Database identifiers
- CAS
7717-29-5- PubChem CID
- 249587
- DTXSID
DTXSID20998430
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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