Butane-1,4-diyl bis(2-ethylbutanoate)
Basic information
- CAS
5348-57-2- Standard SMILES
CCC(CC)C(=O)OCCCCOC(=O)C(CC)CC- InChIKey
CZIFSMDBHPYGFV-UHFFFAOYSA-N- Molecular formula
- C16H30O4
- Average molar mass
- 286.41 g/mol
- Monoisotopic mass
- 286.21440943
Names & identifiers
- Preferred name
- Butane-1,4-diyl bis(2-ethylbutanoate)
- IUPAC
- 4-(2-ethylbutanoyloxy)butyl 2-ethylbutanoate
Names & synonyms
5348-57-2butane-1,4-diyl bis(2-ethylbutanoate)4-(2-ethylbutanoyloxy)butyl 2-ethylbutanoateNSC1282SCHEMBL415923DTXSID20277237NSC-1282NSC67298NSC-672981,2-DI(2-ETHYLBUTOXY)BUTANE
Database identifiers
- CAS
5348-57-2- PubChem CID
- 219682
- DTXSID
DTXSID20277237
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 240
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Compound notes
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