Tridecyl butyrate
Basic information
- CAS
56164-20-6- Standard SMILES
CCCCCCCCCCCCCOC(=O)CCC- InChIKey
AAEAAZAPXYHUIW-UHFFFAOYSA-N- Molecular formula
- C17H34O2
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.25588032
Overview
Tridecyl butyrate is a carboxylic ester.
Names & identifiers
- Preferred name
- Tridecyl butyrate
- IUPAC
- tridecyl butanoate
Names & synonyms
Tridecyl butyratetridecyl butanoateWE(13:0/4:0)Tridecyl butyrate #Butyric acid, tridecyl esterSCHEMBL10149466AAEAAZAPXYHUIW-UHFFFAOYSA-NCHEBI:169401DTXSID201351303LMFA0701042556164-20-6
Database identifiers
- CAS
56164-20-6- PubChem CID
- 560647
- DTXSID
DTXSID201351303- ChEBI
CHEBI:169401
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 190
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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