Basic information
- CAS
34994-81-5- Standard SMILES
CCCCCCCCCCCCCCCCCCCCI- InChIKey
UYBWORFIJZQKEP-UHFFFAOYSA-N- Molecular formula
- C20H41I
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.2253
Names & identifiers
- Preferred name
- 1-Iodoeicosane
- IUPAC
- 1-iodoicosane
- English name
- 1-Iodoeicosane
- Molecular formula
- C20H41I
- Molecular weight
- 408.44
Names & synonyms
1-IODOEICOSANE34994-81-5RefChem:1055650eicosane, 1-iodo-1-iodoicosaneEicosane, 1-iodoSCHEMBL1377733DTXSID20334435UYBWORFIJZQKEP-UHFFFAOYSA-NDB-226266
Database identifiers
- CAS
34994-81-5- PubChem CID
- 520709
- DTXSID
DTXSID20334435
Properties
Computed structural properties
- XLogP
- 11.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 18
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 41.45 °C · 41.45°C
- Boiling point
- 391.28 °C · 391.28°C (rough estimate)
- Density
- 1.0758 · 1.0758 (rough estimate)
- refractive index
- 1.4716 · 1.4716 (estimate)
Chemistry & industry
Suppliers1 total
CHEM-IMPEX—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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