chempirical

1-Iodoheptane

C7H15ICAS 4282-40-0226.10 g/mol

Open in Covalent MOL file
I
Alkyl halide

Properties

Molecular formula
C7H15I
Molar mass
226.10 g/mol
Exact mass
226.0218 Da
Density
1.3774 g/mL (at 20 °C)
Melting point
−48.2 °C
Boiling point
204 °C
logP
3.39Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
4282-40-0
SMILES
CCCCCCCI
InChIKey
LMHCYRULPLGEEZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Heptane, 1-iodo-
  • Heptyl iodide
  • n-Heptyl iodide
  • 1-Heptyl iodide
  • NSC 7316
  • 1-Iodo-n-heptane

Work with 1-Iodoheptane

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-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-Iodohexane638-45-9100 % 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