chempirical

(S)-(+)-1-Iodo-2-methylbutane

C5H11ICAS 29394-58-9198.05 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
logP
2.47Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
29394-58-9
SMILES
CC[C@H](C)CI
InChIKey
RHBHXHXNWHTGSO-YFKPBYRVSA-N
InChI
InChI=1S/C5H11I/c1-3-5(2)4-6/h5H,3-4H2,1-2H3/t5-/m0/s1

Weigh it out

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

Work with (S)-(+)-1-Iodo-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methylpentane96-14-059 % similar 3,5-Dimethylheptane926-82-953 % similar 1-Bromo-2-methylbutane10422-35-245 % similar 2-Methyl-1-butanol137-32-645 % similar (S)-2-Methyl-1-butanol1565-80-645 % similar 2-Methyl-1-butanethiol1878-18-845 % similar 2-Methyl-1-butanol34713-94-545 % similar (2S)-1-Bromo-2-methylbutane534-00-945 % similar

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

Same formula

1-Iodo-3-methylbutane541-28-6 1-Iodopentane628-17-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook