Basic information
- CAS
5412-07-7- Standard SMILES
CCCCOC(=O)C(C)OC(=O)COCC(=O)OC(C)C(=O)OCCCC- InChIKey
YMYWQAAQIWMAJU-UHFFFAOYSA-N- Molecular formula
- C18H30O9
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.18898253
Names & identifiers
- Preferred name
- Butyl 2,10-dimethyl-4,8,11-trioxo-3,6,9,12-tetraoxahexadecan-1-oate
- IUPAC
- butyl 2-[2-[2-(1-butoxy-1-oxopropan-2-yl)oxy-2-oxoethoxy]acetyl]oxypropanoate
Names & synonyms
5412-07-7NSC2425butyl 2,10-dimethyl-4,8,11-trioxo-3,6,9,12-tetraoxahexadecan-1-oateDTXSID50277467NSC-2425DIGLYCOLIC ACID, DIESTER WITH BUTYL LACTATE
Database identifiers
- CAS
5412-07-7- PubChem CID
- 220131
- DTXSID
DTXSID50277467
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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