Bis(2-methylpropyl) 4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate
Basic information
- CAS
5396-93-0- Standard SMILES
CC(C)COC(=O)COC(=O)OCCOCCOC(=O)OCC(=O)OCC(C)C- InChIKey
GDTFFEMFRFPEGU-UHFFFAOYSA-N- Molecular formula
- C18H30O11
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.17881177
Names & identifiers
- Preferred name
- Bis(2-methylpropyl) 4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate
- IUPAC
- 2-methylpropyl 2-[2-[2-[2-(2-methylpropoxy)-2-oxoethoxy]carbonyloxyethoxy]ethoxycarbonyloxy]acetate
Names & synonyms
5396-93-0bis(2-methylpropyl) 4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioateDTXSID20277833RefChem:329652DTXCID70228991NSC4399NSC-43994,12-dioxo-3,5,8,11,13-pentaoxa-pentadecanedioic acid diisobutyl ester
Database identifiers
- CAS
5396-93-0- PubChem CID
- 220896
- DTXSID
DTXSID20277833
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 20
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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