Basic information
- CAS
80721-15-9- Standard SMILES
CCCC(C)(CC(=O)OCC)CC(=O)OCC- InChIKey
ANESJIFXDTVKGS-UHFFFAOYSA-N- Molecular formula
- C13H24O4
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.16745924
Names & identifiers
- Preferred name
- Diethyl 3-methyl-3-propylpentanedioate
- IUPAC
- diethyl 3-methyl-3-propylpentanedioate
Names & synonyms
80721-15-9diethyl 3-methyl-3-propylpentanedioateNSC38756DTXSID70284734NSC-38756
Database identifiers
- CAS
80721-15-9- PubChem CID
- 236339
- DTXSID
DTXSID70284734
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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