Dimethyl 2-hydroxypentanedioate
Basic information
- CAS
81077-10-3- Standard SMILES
COC(=O)CCC(O)C(=O)OC- InChIKey
SHBLBMNYOOCEFM-UHFFFAOYSA-N- Molecular formula
- C7H12O5
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.06847348
Names & identifiers
- Preferred name
- Dimethyl 2-hydroxypentanedioate
- IUPAC
- dimethyl 2-hydroxypentanedioate
Names & synonyms
Dimethyl 2-hydroxypentanedioate81077-10-3DTXSID20511860RefChem:338528DTXCID80462667Pentanedioic acid, 2-hydroxy-, dimethyl esterdimethyl 2-hydroxyglutarateSCHEMBL4057765CHEMBL4858585FCA09497SB48001H53736
Show more names
F579370
Database identifiers
- CAS
81077-10-3- PubChem CID
- 12866167
- DTXSID
DTXSID20511860- ChEMBL
CHEMBL4858585- Nikkaji
- J1.992.753I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
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Related reactions
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Compound notes
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