Dodecyl 4-chlorobutanoate
Basic information
- CAS
88395-95-3- Standard SMILES
CCCCCCCCCCCCOC(=O)CCCCl- InChIKey
AMCRHNDYMZXQRU-UHFFFAOYSA-N- Molecular formula
- C16H31ClO2
- Average molar mass
- 290.9 g/mol
- Monoisotopic mass
- 290.2012579
Names & identifiers
- Preferred name
- Dodecyl 4-chlorobutanoate
- IUPAC
- dodecyl 4-chlorobutanoate
Names & synonyms
Dodecyl 4-chlorobutanoateDTXSID6033586588395-95-3RefChem:339500DTXCID10286954AMCRHNDYMZXQRU-UHFFFAOYSA-NSCHEMBL21811420Butanoic acid, 4-chloro, dodecyl ester
Database identifiers
- CAS
88395-95-3- PubChem CID
- 527641
- DTXSID
DTXSID60335865
Properties
Computed structural properties
- XLogP
- 6.5
- 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
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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