1-Iodo-4-pentylbenzene

C₁₁H₁₅ICAS 85017-60-3274.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₅I
Molar mass: 274.15 g/mol
Exact mass: 274.0218 Da
logP: 4.02Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

85017-60-3

SMILES

CCCCCc1ccc(I)cc1

InChIKey

MTRMOYSZRPLAOL-UHFFFAOYSA-N

InChI

InChI=1S/C11H15I/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-iodo-4-pentyl-
1-Iodo-4-n-pentylbenzene
4-Pentyliodobenzene
4-Iodopentylbenzene

Work with 1-Iodo-4-pentylbenzene

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

Decylbenzene104-72-358 % similar Hexylbenzene1077-16-358 % similar Heptylbenzene1078-71-358 % similar n-Nonylbenzene1081-77-258 % similar Dodecylbenzene123-01-358 % similar Tridecylbenzene123-02-458 % similar Hexadecylbenzene1459-09-258 % similar Tetradecylbenzene1459-10-558 % similar

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

Same formula

1-Iodo-2,3,4,5,6-pentamethylbenzene3853-91-6

Elsewhere

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