Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecan-1-oate
Basic information
- CAS
6290-81-9- Standard SMILES
CCCCOC(=O)C(C)OC(=O)OCCOCCOC(=O)OC(C)C- InChIKey
NYKAPLDVKNVSIS-UHFFFAOYSA-N- Molecular formula
- C16H28O9
- Average molar mass
- 364.39 g/mol
- Monoisotopic mass
- 364.17333247
Names & identifiers
- Preferred name
- Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecan-1-oate
- IUPAC
- butyl 2-[2-(2-propan-2-yloxycarbonyloxyethoxy)ethoxycarbonyloxy]propanoate
Names & synonyms
6290-81-9butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecan-1-oateNSC2424DTXSID90277466NSC-2424BIS(2-HYDROXYETHYL)ETHER, ISOPROPYL ESTER, ESTER WITH BUTYL LACTATE
Database identifiers
- CAS
6290-81-9- PubChem CID
- 220130
- DTXSID
DTXSID90277466
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 395
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Related reactions
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Compound notes
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