chempirical

3,4-Dichloro-1,2,3,4-tetramethylcyclobutene

C8H12Cl2CAS 1194-30-5179.08 g/mol

Open in Covalent MOL file
ClCl
AlkeneAlkyl halide

Properties

Molecular formula
C8H12Cl2
Molar mass
179.08 g/mol
Exact mass
178.0316 Da
logP
3.33Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1194-30-5
SMILES
CC1=C(C(C1(C)Cl)(C)Cl)C
InChIKey
QJHFTVCGJZFLCW-UHFFFAOYSA-N
InChI
InChI=1S/C8H12Cl2/c1-5-6(2)8(4,10)7(5,3)9/h1-4H3

Weigh it out

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

Names and synonyms

2 names
  • Cyclobutene, 3,4-dichloro-1,2,3,4-tetramethyl-
  • Cyclobutene,4-dichloro-1,2,3,4-tetramethyl-

Reactions

Work with 3,4-Dichloro-1,2,3,4-tetramethylcyclobutene

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

1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene7641-77-239 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook