9-Iodooctadecanoic acid
Basic information
- CAS
104855-13-2- Standard SMILES
CCCCCCCCCC(I)CCCCCCCC(=O)O- InChIKey
QLENVUBDLCZSPR-UHFFFAOYSA-N- Molecular formula
- C18H35IO2
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.16818
Names & identifiers
- Preferred name
- 9-Iodooctadecanoic acid
- IUPAC
- 9-iodooctadecanoic acid
- English name
- 9-iodooctadecanoic acid
- Molecular weight
- 0
Names & synonyms
9-Iodooctadecanoic acid9-Iodostearic acid9-Monoiodostearic acid104855-13-29-Monoiodooctadecanoic acidDTXSID60909247RefChem:107977DTXCID001338313Octadecanoic acid, 9-iodo-SCHEMBL23928798
Database identifiers
- CAS
104855-13-2- PubChem CID
- 128689
- DTXSID
DTXSID60909247- Nikkaji
- J386.881H
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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