Basic information
- CAS
88104-31-8- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)Cl- InChIKey
YQCZLISEEYFBDQ-UHFFFAOYSA-N- Molecular formula
- C21H41ClO2
- Average molar mass
- 361 g/mol
- Monoisotopic mass
- 360.2795082
Names & identifiers
- Preferred name
- Octadecyl 2-chloropropanoate
- IUPAC
- octadecyl 2-chloropropanoate
Names & synonyms
Octadecyl 2-chloropropanoate88104-31-8DTXSID60335103Propanoic acid, 2-chloro, octadecyl esterRefChem:366723DTXCID702861922-Chloropropionic acid, octadecyl esterYQCZLISEEYFBDQ-UHFFFAOYSA-N2- Chloropropionic acid, octadecyl esterOctadecyl 2-chloropropanoate #SCHEMBL11783332
Database identifiers
- CAS
88104-31-8- PubChem CID
- 522892
- DTXSID
DTXSID60335103
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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