chempirical

1-Iododecane

C10H21ICAS 2050-77-3268.18 g/mol

Open in Covalent MOL file
I
Alkyl halide

Properties

Molecular formula
C10H21I
Molar mass
268.18 g/mol
Exact mass
268.0688 Da
Density
1.2567 g/mL (at 20 °C)
Melting point
−16.3 °C
Boiling point
132 °C
logP
4.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

Identifiers

CAS number
2050-77-3
SMILES
CCCCCCCCCCI
InChIKey
SKIDNYUZJPMKFC-UHFFFAOYSA-N
InChI
InChI=1S/C10H21I/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Decane, 1-iodo-
  • Decyl iodide
  • n-Decyl iodide
  • 1-Decyl iodide

Work with 1-Iododecane

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-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-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