2-Butenedioic acid (2E)-, bis(4-methylpentyl) ester
Basic information
- CAS
3294-12-0- Standard SMILES
CC(C)CCCOC(=O)C=CC(=O)OCCCC(C)C- InChIKey
AUUKMDXZUNSGGI-UHFFFAOYSA-N- Molecular formula
- C16H28O4
- Average molar mass
- 284.39 g/mol
- Monoisotopic mass
- 284.19875937
Names & identifiers
- Preferred name
- 2-Butenedioic acid (2E)-, bis(4-methylpentyl) ester
- IUPAC
- bis(4-methylpentyl) but-2-enedioate
Names & synonyms
2-Butenedioic acid (2E)-, bis(4-methylpentyl) esterDTXSID6062963RefChem:257894DTXCID1038610SCHEMBL6903305NS00120246
Database identifiers
- CAS
3294-12-0- PubChem CID
- 160680
- DTXSID
DTXSID6062963
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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