Diethyl pentan-2-ylidenepropanedioate
Basic information
- CAS
18795-91-0- Standard SMILES
CCCC(C)=C(C(=O)OCC)C(=O)OCC- InChIKey
LFJWMURFTGKOBF-UHFFFAOYSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- Diethyl pentan-2-ylidenepropanedioate
- IUPAC
- diethyl 2-pentan-2-ylidenepropanedioate
Names & synonyms
18795-91-0diethyl pentan-2-ylidenepropanedioateNSC128939SCHEMBL6067610DTXSID20299257NSC-128939Diethyl (pentan-2-ylidene)propanedioate
Database identifiers
- CAS
18795-91-0- PubChem CID
- 278971
- DTXSID
DTXSID20299257- Nikkaji
- J2.216.366C
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 259
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Compound notes
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