chempirical

Neopentylbenzene

C11H16CAS 1007-26-7148.25 g/mol

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Properties

Molecular formula
C11H16
Molar mass
148.25 g/mol
Exact mass
148.1252 Da
logP
3.28Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
1007-26-7
SMILES
CC(C)(C)CC1=CC=CC=C1
InChIKey
CJGXJKVMUHXVHL-UHFFFAOYSA-N
InChI
InChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

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Names and synonyms

1 names
  • Benzene, (2,2-dimethylpropyl)-

Work with Neopentylbenzene

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

2-Methyl-1-phenyl-2-propanol100-86-756 % similar Phentermine hydrochloride1197-21-350 % similar Bibenzyl103-29-745 % similar N-(1,1-Dimethylethyl)benzenemethanamine3378-72-144 % similar Ethylbenzene100-41-443 % similar Diphenylmethane101-81-543 % similar 2-Methyl-4-phenyl-2-butanol103-05-943 % similar 1,3-Diphenylpropane1081-75-043 % similar

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

Same formula

(1-Ethylpropyl)benzene1196-58-3 Isopentylbenzene2049-94-7 tert-Amylbenzene2049-95-8 Pentylbenzene538-68-1 Pentamethylbenzene700-12-9 4-tert-Butyltoluene98-51-1

Elsewhere

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