Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester
Basic information
- CAS
56294-09-8- Standard SMILES
CCOC(=O)CC(=O)CCC(=O)OC- InChIKey
ASPNMRBMNBSGGE-UHFFFAOYSA-N- Molecular formula
- C9H14O5
- Average molar mass
- 202.2 g/mol
- Monoisotopic mass
- 202.08412354
Names & identifiers
- Preferred name
- Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester
- IUPAC
- 1-O-ethyl 6-O-methyl 3-oxohexanedioate
- English name
- 3-Oxo-hexanedioic acid 1-ethyl ester 6-methyl ester
- Molecular formula
- C9H14O5
- Molecular weight
- 202.2
Names & synonyms
56294-09-8Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl esterRefChem:3476283-Oxo-hexanedioic acid 1-ethyl ester 6-methyl ester1-Ethyl 6-methyl 3-oxohexanedioate1-O-ethyl 6-O-methyl 3-oxohexanedioate14000-78-31-ethyl6-methyl3-oxohexanedioateethyl methyl beta-oxoadipate3-Oxohexanedioic acid, 1-ethyl ester 6-methyl esterSCHEMBL8780916ASPNMRBMNBSGGE-UHFFFAOYSA-N
Show more names
ethyl 5-methoxycarbonyl-3-oxopentanoate
DTXSID9012392711-Ethyl 6-methyl 3-oxohexanedioate #3-Oxohexanedioic acid 1-ethyl ester 6-methyl esterA1-75370
Database identifiers
- CAS
56294-09-8- PubChem CID
- 575291
- DTXSID
DTXSID901239271- Nikkaji
- J1.258.093B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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