chempirical

1-Ethyl-4-methylcyclohexane

C9H18CAS 3728-56-1126.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C9H18
Molar mass
126.24 g/mol
Exact mass
126.1409 Da
logP
3.22Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
3728-56-1
SMILES
CCC1CCC(CC1)C
InChIKey
CYISMTMRBPPERU-UHFFFAOYSA-N
InChI
InChI=1S/C9H18/c1-3-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

15 names · show all
  • cis-1-Ethyl-4-Methylcyclohexane
  • trans-1-Ethyl-4-Methylcyclohexane
  • Cyclohexane, 1-ethyl-4-methyl-, cis-
  • Cyclohexane, 1-ethyl-4-methyl-, trans-
  • 1-Ethyl-4-methyl-cyclohexane
  • cis-1-Ethyl-4-methycyclohexane
  • trans-1-Ethyl-4-methycyclohexane
  • Cyclohexane, 1-ethyl-4-methyl-
  • 1-Ethyl-4-methylcyclohexane cis-
  • cis-1-Ethyl-4-methyl cyclohexane
  • 1-Ethyl-4-methylcyclohexane trans-
  • 1-Ethyl-4-methyl(trans)-cyclohexane
  • c-1-Ethyl-4-methylcyclohexane
  • 1-Methyl-cis-4-ethylcyclohexane
  • cis-1-Methyl-4-Ethylcyclohexane

Work with 1-Ethyl-4-methylcyclohexane

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

1,4-Dimethylcyclohexane589-90-256 % similar cis-1,4-Dimethylcyclohexane624-29-356 % similar Ethylcyclopentane1640-89-753 % similar Ethylcyclohexane1678-91-750 % similar 2,5-Dimethylheptane2216-30-050 % similar 4-Ethylcyclohexanol4534-74-150 % similar 3-Methylpentane96-14-050 % similar (Trans,trans)-4-Ethyl-4′-propyl-1,1′-bicyclohexyl96624-41-846 % similar

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

Same formula

1-Nonene124-11-8 Propylcyclohexane1678-92-8 1,3,5-Trimethylcyclohexane1839-63-0 (3E)-3-Nonene20063-92-7 Butylcyclopentane2040-95-1 4-Nonene2198-23-4 1,2,4-Trimethylcyclohexane2234-75-5 2,6-Dimethyl-3-heptene2738-18-3

Elsewhere

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