Dibutan-2-yl but-2-enedioate
Basic information
- CAS
2210-32-4- Standard SMILES
CCC(C)OC(=O)C=CC(=O)OC(C)CC- InChIKey
MWJNGKOBSUBRNM-UHFFFAOYSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- Dibutan-2-yl but-2-enedioate
- IUPAC
- dibutan-2-yl but-2-enedioate
Names & synonyms
dibutan-2-yl but-2-enedioateSCHEMBL510760DTXSID80944736Di(butan-2-yl) but-2-enedioate
Database identifiers
- CAS
2210-32-4- PubChem CID
- 593207
- DTXSID
DTXSID80944736
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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