Basic information
- CAS
5933-75-5- Standard SMILES
CCOC(=O)CCCCCCCCCCc1ccc(I)cc1- InChIKey
BBFSXKUIVDQMIR-UHFFFAOYSA-N- Molecular formula
- C19H29IO2
- Average molar mass
- 416.3 g/mol
- Monoisotopic mass
- 416.12123
Names & identifiers
- Preferred name
- Ethyl 11-(4-iodophenyl)undecanoate
- IUPAC
- ethyl 11-(4-iodophenyl)undecanoate
Names & synonyms
ethyl 11-(4-iodophenyl)undecanoate5933-75-5ETHYL 11-(P-IODOPHENYL)UNDECYLATEF89NJM3XVJBenzeneundecanoic acid, 4-iodo-, ethyl esterUndecanoic acid, 11-(p-iodophenyl)-, ethyl esterEthyl 4-iodobenzeneundecanoateSCHEMBL9559017DTXSID20274726
Database identifiers
- CAS
5933-75-5- PubChem CID
- 22220
- DTXSID
DTXSID20274726- UNII
- F89NJM3XVJ
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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