Basic information
- CAS
55373-87-0- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC- InChIKey
VCZVPMCCBMEIIG-UHFFFAOYSA-N- Molecular formula
- C26H52O2
- Average molar mass
- 396.7 g/mol
- Monoisotopic mass
- 396.3967309
Names & identifiers
- Preferred name
- Butanoic acid, docosyl ester
- IUPAC
- docosyl butanoate
- English name
- Butanoic acid docosyl ester
- Molecular formula
- C26H52O2
- Molecular weight
- 396.69
Names & synonyms
Butanoic acid, docosyl esterdocosenyl butyrate55373-87-0docosyl butanoateWE(22:0/4:0)docosanyl butyrateDocosyl butyrate #SCHEMBL28069269DTXSID50339998LMFA07010431Docosyl butyrateButanoic acid docosyl ester
Database identifiers
- CAS
55373-87-0- PubChem CID
- 560693
- DTXSID
DTXSID50339998- Nikkaji
- J128.784B
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 24
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 301
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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