chempirical

1-Iodohexane

C6H13ICAS 638-45-9212.07 g/mol

Open in Covalent MOL file
I
Alkyl halide

Properties

Molecular formula
C6H13I
Molar mass
212.07 g/mol
Exact mass
212.0062 Da
Density
1.435 g/mL (at 20 °C)
Melting point
−74.2 °C
Boiling point
181 °C
logP
3.00Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
638-45-9
SMILES
CCCCCCI
InChIKey
ANOOTOPTCJRUPK-UHFFFAOYSA-N
InChI
InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Hexane, 1-iodo-
  • Hexyl iodide
  • 1-Hexyl iodide
  • n-Hexyl iodide
  • NSC 9251
  • 1-Iodo-n-hexane

Work with 1-Iodohexane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Iododecane2050-77-3100 % similar 1-Iodoheptane4282-40-0100 % similar 1-Iodononane4282-42-2100 % similar Undecyl iodide4282-44-4100 % similar 1-Iodododecane4292-19-7100 % similar 1-Iodooctane629-27-6100 % similar 1-Iodooctadecane629-93-6100 % similar 1-Iodopentane628-17-193 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook