2,6-Dimethylnaphthalene

C₁₂H₁₂CAS 581-42-0156.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂
Molar mass: 156.23 g/mol
Exact mass: 156.0939 Da
Melting point: 112 °C
Boiling point: 262 °C
logP: 3.46Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

581-42-0

SMILES

Cc1ccc2cc(C)ccc2c1

InChIKey

YGYNBBAUIYTWBF-UHFFFAOYSA-N

InChI

InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3

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

Names and synonyms

2 names

Naphthalene, 2,6-dimethyl-
NSC 36852

Work with 2,6-Dimethylnaphthalene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methylnaphthalene91-57-678 % similar 3,6-Dimethylphenanthrene1576-67-667 % similar 6-Methylisoquinoline42398-73-261 % similar 2,6-Dimethylquinoline877-43-054 % similar P-Xylene106-42-353 % similar 5-Methylindole614-96-052 % similar M-Xylene108-38-350 % similar 5-Methylbenzo[B]thiophene14315-14-150 % similar

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

Same formula

1-Ethylnaphthalene1127-76-0 1,8-Dimethylnaphthalene569-41-5 1,4-Dimethylnaphthalene571-58-4 1,5-Dimethylnaphthalene571-61-9 1,2-Dimethylnaphthalene573-98-8 1,7-Dimethylnaphthalene575-37-1 1,3-Dimethylnaphthalene575-41-7 1,6-Dimethylnaphthalene575-43-9

Elsewhere

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