Diethyl 2-(1-hydroxybutyl)propanedioate
Basic information
- CAS
13937-10-5- Standard SMILES
CCCC(O)C(C(=O)OCC)C(=O)OCC- InChIKey
CMCBDOSVNNIBSX-UHFFFAOYSA-N- Molecular formula
- C11H20O5
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.13107373
Names & identifiers
- Preferred name
- Diethyl 2-(1-hydroxybutyl)propanedioate
- IUPAC
- diethyl 2-(1-hydroxybutyl)propanedioate
Names & synonyms
diethyl 2-(1-hydroxybutyl)propanedioate13937-10-5NSC 280659NSC280659DTXSID00314093Diethyl (1-hydroxybutyl)propanedioateAKOS011681541NSC-280659DS-000453
Database identifiers
- CAS
13937-10-5- PubChem CID
- 322589
- DTXSID
DTXSID00314093
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
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Compound notes
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