Basic information
- CAS
105-03-3- Standard SMILES
CCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CC- InChIKey
HFEFYTCEBRSONX-UHFFFAOYSA-N- Molecular formula
- C21H40O4
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.29265975
Names & identifiers
- Preferred name
- Bis(2-ethylbutyl) azelate
- IUPAC
- bis(2-ethylbutyl) nonanedioate
Names & synonyms
Bis(2-ethylbutyl) azelateDI-2-ETHYLBUTYL AZELATE105-03-31,9-BIS(2-ETHYLBUTYL) NONANEDIOATEbis(2-ethylbutyl) nonanedioateEINECS 203-263-1di-(2-ethylbutyl)azelateR9MA8MQ4SCDi-(2-athylbutyl)-azelatSCHEMBL249038DTXSID70146904NS00023341
Show more names
Nonanedioic acid, 1,9-bis(2-ethylbutyl) ester
Database identifiers
- CAS
105-03-3- PubChem CID
- 66920
- DTXSID
DTXSID70146904- UNII
- R9MA8MQ4SC
- EC Number
- 203-263-1
- Nikkaji
- J182.191A
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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