Bis(2-methoxy-2-oxoethyl) hexanedioate

Substructure search Find similar structures

Basic information

CAS: 74275-80-2
Standard SMILES: COC(=O)COC(=O)CCCCC(=O)OCC(=O)OC
InChIKey: JOFDBBMFQBFKKI-UHFFFAOYSA-N
Molecular formula: C12H18O8
Average molar mass: 290.27 g/mol
Monoisotopic mass: 290.10016753

Names & identifiers

Preferred name: Bis(2-methoxy-2-oxoethyl) hexanedioate
IUPAC: bis(2-methoxy-2-oxoethyl) hexanedioate

Names & synonyms

bis(2-methoxy-2-oxoethyl) hexanedioate74275-80-2DTXSID10313678RefChem:329627DTXCID00264802NSC274603SCHEMBL9857013bis(carbometh-oxymethyl) adipateNSC-274603

Database identifiers

CAS: 74275-80-2
PubChem CID: 321704
DTXSID: DTXSID10313678

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 105 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 13
Heavy atoms: 20
Formal charge: 0
Complexity: 315

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…