Basic information
- Standard SMILES
COC(=O)CC(CC(=O)OC)C(CC(=O)[O-])C(=O)OC- InChIKey
XPWWKVGOLQYXEG-UHFFFAOYSA-M- Molecular formula
- C12H17O8-
- Average molar mass
- 289.26 g/mol
- Monoisotopic mass
- 289.0923425
Names & identifiers
- Preferred name
- 6-Methyl 3-methoxycarbonyl-4-methoxycarbonylmethyladipate
- IUPAC
- 6-methoxy-3-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-6-oxohexanoate
Names & synonyms
XPWWKVGOLQYXEG-UHFFFAOYSA-M6-methyl 3-methoxycarbonyl-4-methoxycarbonylmethyladipate
Database identifiers
- PubChem CID
- 19038656
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- -1
- Complexity
- 352
Related reactions
1 records
Compound notes
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