1,8-Dimethylnaphthalene

C₁₂H₁₂CAS 569-41-5156.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂
Molar mass: 156.23 g/mol
Exact mass: 156.0939 Da
Melting point: 65 °C
Boiling point: 270 °C
logP: 3.46Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

569-41-5

SMILES

Cc1cccc2cccc(C)c12

InChIKey

XAABPYINPXYOLM-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Naphthalene, 1,8-dimethyl-

Work with 1,8-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

Methylnaphthalene1321-94-455 % similar 1-Methylnaphthalene90-12-055 % similar 1-Methylpyrene2381-21-754 % similar Pyrene129-00-050 % similar 2,3,5-Trimethylnaphthalene2245-38-750 % similar O-Xylene95-47-650 % similar 2-Iodo-1,3-dimethylbenzene608-28-648 % similar 2-Chloro-1,3-dimethylbenzene6781-98-248 % similar

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

Same formula

1-Ethylnaphthalene1127-76-0 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 2,3-Dimethylnaphthalene581-40-8

Elsewhere

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