1-Iodo-2,3,4,5,6-pentamethylbenzene

C₁₁H₁₅ICAS 3853-91-6274.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₅I
Molar mass: 274.15 g/mol
Exact mass: 274.0218 Da
Melting point: 134–136 °C
logP: 3.83Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

3853-91-6

SMILES

Cc1c(C)c(C)c(I)c(C)c1C

InChIKey

UXHBVYKGPRUHKM-UHFFFAOYSA-N

InChI

InChI=1S/C11H15I/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3

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

Names and synonyms

5 names

Benzene, 1-iodo-2,3,4,5,6-pentamethyl-
Benzene, iodopentamethyl-
Iodopentamethylbenzene
Pentamethyliodobenzene
2,3,4,5,6-Pentamethyliodobenzene

Work with 1-Iodo-2,3,4,5,6-pentamethylbenzene

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

Pentamethylbenzene700-12-939 % similar 1-Iodo-2,3,4,5-tetramethylbenzene54509-71-636 % similar 2-Iodo-1,3-dimethylbenzene608-28-635 % similar Iodomesitylene4028-63-133 % similar Prehnitene488-23-333 % similar 1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-233 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-530 % similar

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

Same formula

1-Iodo-4-pentylbenzene85017-60-3

Elsewhere

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