Basic information
- CAS
5333-38-0- Standard SMILES
CCCCOC(=O)OCCOCCOC(=O)OC(C)C(=O)OCCCC- InChIKey
KCCYUUPPAVPFMF-UHFFFAOYSA-N- Molecular formula
- C17H30O9
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.18898253
Names & identifiers
- Preferred name
- Butyl 2-methyl-4,12-dioxo-3,5,8,11,13-pentaoxaheptadecan-1-oate
- IUPAC
- butyl 2-[2-(2-butoxycarbonyloxyethoxy)ethoxycarbonyloxy]propanoate
Names & synonyms
5333-38-0butyl 2-methyl-4,12-dioxo-3,5,8,11,13-pentaoxaheptadecan-1-oateNSC2401DTXSID20277454NSC-2401BIS(2-HYDROXYETHYL)ETHER, BUTYL ESTER, ESTER WITH BUTYL LACTATE
Database identifiers
- CAS
5333-38-0- PubChem CID
- 220114
- DTXSID
DTXSID20277454
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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