Dipentylbenzene

C₁₆H₂₆CAS 635-89-2218.38 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₆
Molar mass: 218.38 g/mol
Exact mass: 218.2035 Da
logP: 5.15Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 8

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

635-89-2

SMILES

CCCCCC1=CC=CC=C1CCCCC

InChIKey

FQYVVSNFPLKMNU-UHFFFAOYSA-N

InChI

InChI=1S/C16H26/c1-3-5-7-11-15-13-9-10-14-16(15)12-8-6-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3

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Names and synonyms

1 names

Benzene, 1,2-dipentyl

Work with Dipentylbenzene

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

Tetralin119-64-268 % similar Pentylbenzene538-68-168 % similar Nonylphenol25154-52-367 % similar 2-Heptylphenol5284-22-067 % similar Hexylbenzene1077-16-365 % similar Heptylbenzene1078-71-365 % similar n-Nonylbenzene1081-77-265 % similar Dodecylbenzene123-01-365 % similar

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

Same formula

Decylbenzene104-72-3

Elsewhere

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