Basic information
- Standard SMILES
CCOC(=O)CCCCCCCCC(C)c1cccc(I)c1- InChIKey
QEDKWPVYINBWKH-UHFFFAOYSA-N- Molecular formula
- C19H29IO2
- Average molar mass
- 416.3 g/mol
- Monoisotopic mass
- 416.12123
Names & identifiers
- Preferred name
- Ethyl 10-(3-iodophenyl)undecanoate
- IUPAC
- ethyl 10-(3-iodophenyl)undecanoate
Names & synonyms
ethyl 10-(3-iodophenyl)undecanoatem-IophendylateIophendylate, m-DTXSID502316092C29S2462ethyl ester3-iodo-iota-methyl-benzenedecanoic acidQ27271496BENZENEDECANOIC ACID, 3-IODO-.IOTA.-METHYL-, ETHYL ESTER
Database identifiers
- PubChem CID
- 5284576
- DTXSID
DTXSID5023160- UNII
- 92C29S2462
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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