(8S-(8R*,16R*))-8,16-Bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
Basic information
- CAS
154869-43-9- Standard SMILES
CC(=O)C[C@@H]1CCCCCC(=O)O[C@H](CC(C)=O)CCC(=O)CCC(=O)O1- InChIKey
CZRTWOKSRMXXSJ-ROUUACIJSA-N- Molecular formula
- C20H30O7
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.19915329
Names & identifiers
- Preferred name
- (8S-(8R*,16R*))-8,16-Bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
- IUPAC
- trans-(8S,16S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
Names & synonyms
(8S-(8R*,16R*))-8,16-Bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione154869-43-9CCRIS 69741,9-Dioxacyclohexadecane-2,5,10-trione, 8,16-bis(2-oxopropyl)-, (8S-(8R*,16R*))-DTXSID60935086(8S,16S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
Database identifiers
- CAS
154869-43-9- PubChem CID
- 154676
- DTXSID
DTXSID60935086
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 553
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Compound notes
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