chempirical

1-Iodo-3-methylbutane

C5H11ICAS 541-28-6198.05 g/mol

Open in Covalent MOL file
I
Alkyl halide

Properties

Molecular formula
C5H11I
Molar mass
198.05 g/mol
Exact mass
197.9905 Da
Density
1.5028 g/mL (at 20 °C)
Melting point
143–144 °C
Boiling point
147 °C
logP
2.47Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
541-28-6
SMILES
CC(C)CCI
InChIKey
BUZZUHJODKQYTF-UHFFFAOYSA-N
InChI
InChI=1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Butane, 1-iodo-3-methyl-
  • iso-Amyliodide
  • 4-Iodo-2-methylbutane
  • Isopentyl iodide
  • Isoamyl iodide
  • 3-Methylbutyliodide
  • 3-Methyl-1-iodobutane

Work with 1-Iodo-3-methylbutane

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

2,5-Dimethylhexane592-13-253 % similar 3-Methyl-N,N-bis(3-methylbutyl)-1-butanamine645-41-047 % similar 2,7-Dimethyloctane1072-16-847 % similar Isobutyl iodide513-38-244 % similar 2-Methylpentane107-83-542 % similar 1-Bromo-3-methylbutane107-82-440 % similar 1-Chloro-3-methylbutane107-84-640 % similar Isoamylamine107-85-740 % similar

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

Same formula

1-Iodopentane628-17-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook