10-Iodooctadecanoic acid
Basic information
- CAS
104855-14-3- Standard SMILES
CCCCCCCCC(I)CCCCCCCCC(=O)O- InChIKey
OJVDNWWRBOTQHQ-UHFFFAOYSA-N- Molecular formula
- C18H35IO2
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.16818
Names & identifiers
- Preferred name
- 10-Iodooctadecanoic acid
- IUPAC
- 10-iodooctadecanoic acid
- English name
- 10-iodooctadecanoic acid
- Molecular formula
- C18H35IO2
- Molecular weight
- 410.37
Names & synonyms
10-Iodooctadecanoic acid10-Iodostearic acid104855-14-310-Monoiodostearic acid10-Monoiodooctadecanoic acidDTXSID20909248RefChem:77551DTXCID701338314Octadecanoic acid, 10-iodo-orb3181674SCHEMBL25490298
Database identifiers
- CAS
104855-14-3- PubChem CID
- 128690
- DTXSID
DTXSID20909248- Nikkaji
- J386.882F
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
Physicochemical properties
- Boiling point
- 459.5 · 459.5±18.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…