13-Hydroxy-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
Basic information
- CAS
156619-66-8- Standard SMILES
CC(=O)CC1CCC(=O)CCC(=O)OC(CC(C)=O)CCC(O)CCC(=O)O1- InChIKey
JXEAJIJCQCIJPG-UHFFFAOYSA-N- Molecular formula
- C20H30O8
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.19406791
Names & identifiers
- Preferred name
- 13-Hydroxy-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
- IUPAC
- 13-hydroxy-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
Names & synonyms
13-Hydroxy-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione156619-66-8CCRIS 6973DTXSID40935488
Database identifiers
- CAS
156619-66-8- PubChem CID
- 154688
- DTXSID
DTXSID40935488
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 583
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