Diethyl (prop-1-en-2-yl)(prop-2-en-1-yl)propanedioate
Basic information
- CAS
22902-20-1- Standard SMILES
C=CCC(C(=C)C)(C(=O)OCC)C(=O)OCC- InChIKey
SAZXJJYCVCSNSR-UHFFFAOYSA-N- Molecular formula
- C13H20O4
- Average molar mass
- 240.29 g/mol
- Monoisotopic mass
- 240.13615911
Names & identifiers
- Preferred name
- Diethyl (prop-1-en-2-yl)(prop-2-en-1-yl)propanedioate
- IUPAC
- diethyl 2-prop-1-en-2-yl-2-prop-2-enylpropanedioate
Names & synonyms
22902-20-1NSC408285Diethyl (prop-1-en-2-yl)(prop-2-en-1-yl)propanedioateDTXSID90945577NSC-408285
Database identifiers
- CAS
22902-20-1- PubChem CID
- 348805
- DTXSID
DTXSID90945577
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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