chempirical

2,6-Diisopropylnaphthalene

C16H20CAS 24157-81-1212.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C16H20
Molar mass
212.34 g/mol
Exact mass
212.1565 Da
Melting point
66.8 °C
logP
5.09Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
24157-81-1
SMILES
CC(C)c1ccc2cc(C(C)C)ccc2c1
InChIKey
GWLLTEXUIOFAFE-UHFFFAOYSA-N
InChI
InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3

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Names and synonyms

5 names
  • Naphthalene, 2,6-bis(1-methylethyl)-
  • Naphthalene, 2,6-diisopropyl-
  • 2,6-Bis(1-methylethyl)naphthalene
  • NSC 166467
  • 2,6-Di(propan-2-yl)naphthalene

Work with 2,6-Diisopropylnaphthalene

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-Isopropylnaphthalene2027-17-081 % similar 1,4-Diisopropylbenzene100-18-561 % similar 1,3-Diisopropylbenzene99-62-757 % similar 1,3,5-Triisopropylbenzene717-74-853 % similar 6-Isopropylquinoline135-79-552 % similar Retene483-65-852 % similar Guaiazulene489-84-948 % similar P-Cymene99-87-648 % similar

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

Elsewhere

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