chempirical

1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene

C15H22CAS 6683-48-3202.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C15H22
Molar mass
202.34 g/mol
Exact mass
202.1722 Da
Melting point
29 °C
Boiling point
78 °C (at 1.5 Torr)
logP
4.34Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
6683-48-3
SMILES
Cc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIKey
AISXBZVAYNUAKB-UHFFFAOYSA-N
InChI
InChI=1S/C15H22/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3/h6-7,10H,8-9H2,1-5H3

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Names and synonyms

3 names
  • Naphthalene, 1,2,3,4-tetrahydro-1,1,4,4,6-pentamethyl-
  • 1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthalene
  • 1,1,4,4,6-Pentamethyl-2,3-dihydronaphthalene

Work with 1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene

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

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene6683-46-154 % similar 2-tert-Butyl-4-methylphenol2409-55-442 % similar 3-Methyl-6-tert-butylphenol88-60-842 % similar 2,3,3,5-Tetramethyl-3H-indole25981-82-239 % similar 2,6-Dimethylnaphthalene581-42-037 % similar 4-[[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]benzoic acid102121-60-837 % similar Tamibarotene94497-51-537 % similar Ttnpb71441-28-636 % similar

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

Elsewhere

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