chempirical

1-Iodooctadecane

C18H37ICAS 629-93-6380.40 g/mol

Open in Covalent MOL file
I
Alkyl halide

Properties

Molecular formula
C18H37I
Molar mass
380.40 g/mol
Exact mass
380.1940 Da
Melting point
34 °C
Boiling point
383 °C
logP
7.68Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
16

Identifiers

CAS number
629-93-6
SMILES
CCCCCCCCCCCCCCCCCCI
InChIKey
ZNJOCVLVYVOUGB-UHFFFAOYSA-N
InChI
InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Octadecane, 1-iodo-
  • Octadecyl iodide
  • Stearyl iodide
  • n-Octadecyl iodide
  • 1-Octadecyl iodide
  • NSC 5544

Work with 1-Iodooctadecane

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-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