Undecyl 2-methylpropanoate
Basic information
- CAS
5458-40-2- Standard SMILES
CCCCCCCCCCCOC(=O)C(C)C- InChIKey
ZINZKLWPDCKZJA-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Overview
Undecyl isobutyrate is a carboxylic ester.
Names & identifiers
- Preferred name
- Undecyl 2-methylpropanoate
- IUPAC
- undecyl 2-methylpropanoate
Names & synonyms
undecyl 2-methylpropanoateUndecyl isobutyrate5458-40-2NSC23556IsobuttersaureundecylesterSCHEMBL21448747DTXSID60281954CHEBI:196016LMFA07010680NSC-23556SFE 11:0/3:0(2Me)SFE(11:0/3:0(2Me))
Show more names
WE(11:0/3:0(2Me))
Database identifiers
- CAS
5458-40-2- PubChem CID
- 229716
- DTXSID
DTXSID60281954- ChEBI
CHEBI:196016
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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