Basic information
- CAS
78034-49-8- Standard SMILES
CC1(C)CC(=O)C(CCC(=O)OCCCN2CCCCC2)CO1.O=C(O)C(=O)O- InChIKey
NFHBWUSKQGOXOH-UHFFFAOYSA-N- Molecular formula
- C20H33NO8
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.22061701
Names & identifiers
- Preferred name
- 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate
- IUPAC
- oxalic acid;3-piperidin-1-ylpropyl 3-(6,6-dimethyl-4-oxooxan-3-yl)propanoate
Names & synonyms
78034-49-82H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioateDTXSID80999286Oxalic acid--3-(piperidin-1-yl)propyl 3-(6,6-dimethyl-4-oxooxan-3-yl)propanoate (1/1)
Database identifiers
- CAS
78034-49-8- PubChem CID
- 190038
- DTXSID
DTXSID80999286
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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