chempirical

Dodecylbenzene

C18H30CAS 29986-57-0246.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C18H30
Molar mass
246.44 g/mol
Exact mass
246.2348 Da
logP
6.15Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
11

Identifiers

CAS number
29986-57-0
SMILES
CCCCCCCCCCCCC1=CC=CC=C1
InChIKey
KWKXNDCHNDYVRT-UHFFFAOYSA-N
InChI
InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3

Weigh it out

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

Work with Dodecylbenzene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dodecylbenzene123-01-3

Similar compounds

Decylbenzene104-72-3100 % similar Hexylbenzene1077-16-3100 % similar Heptylbenzene1078-71-3100 % similar n-Nonylbenzene1081-77-2100 % similar Tridecylbenzene123-02-4100 % similar Hexadecylbenzene1459-09-2100 % similar Tetradecylbenzene1459-10-5100 % similar Heptadecylbenzene14752-75-1100 % similar

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

Same formula

1,3,5-Tri-tert-butylbenzene1460-02-2 Tetrapropylenebenzene25265-78-5

Elsewhere

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