chempirical

4,6,8-Trimethylazulene

C13H14CAS 941-81-1170.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C13H14
Molar mass
170.25 g/mol
Exact mass
170.1096 Da
logP
3.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
941-81-1
SMILES
CC1=CC(=C2C=CC=C2C(=C1)C)C
InChIKey
RUNBRXWUHPOTOO-UHFFFAOYSA-N
InChI
InChI=1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Azulene, 4,6,8-trimethyl-
  • 2,4,6-Trimethylbicyclo(5.3.0)deca-2,4,6,8,10-pentaene
  • 4,8-Trimethylazulene
  • Azulene,6,8-trimethyl-
  • 4,6,8-Trimethyl-azulene
  • 2,6-Trimethylbicyclo[5.3.0]deca-2,4,6,8,10-pentaene

Work with 4,6,8-Trimethylazulene

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

1,3-Dimethylnaphthalene575-41-748 % similar Iodomesitylene4028-63-148 % similar 1,2,4-Trimethylbenzene95-63-648 % similar M-Xylene108-38-348 % similar Mesitol527-60-646 % similar 2,4,6-Trimethylaniline88-05-146 % similar N,N,2,4,6-Pentamethylbenzenamine13021-15-342 % similar 1-Iodo-2,4-dimethylbenzene4214-28-242 % similar

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

Same formula

2-Isopropylnaphthalene2027-17-0 2,3,5-Trimethylnaphthalene2245-38-7

Elsewhere

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