chempirical

1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene

C19H30OCAS 84540-32-9274.45 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C19H30O
Molar mass
274.45 g/mol
Exact mass
274.2297 Da
logP
5.94Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
7
Stereocentres
r, sin SMILES atom order

Identifiers

CAS number
84540-32-9
SMILES
CCCCC[C@H]1CC[C@H](c2ccc(OCC)cc2)CC1
InChIKey
GJHKWLSRHNWTAN-QAQDUYKDNA-N
InChI
InChI=1/C19H30O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h12-17H,3-11H2,1-2H3/t16-,17-

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

Names and synonyms

7 names
  • Benzene, 1-ethoxy-4-(trans-4-pentylcyclohexyl)-
  • Benzene, 1-ethoxy-4-(4-pentylcyclohexyl)-, trans-
  • trans-1-Pentyl-4-(p-ethoxyphenyl)cyclohexane
  • trans-1-(p-Ethoxyphenyl)-4-pentylcyclohexane
  • 5-HB-O2
  • (Trans)-4-Ethoxy-1-(4-pentylcyclohexyl)benzene
  • (Trans)-1-(4-Ethoxyphenyl)-4-pentylcyclohexane

Work with 1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene

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-Ethoxy-4-(trans-4-propylcyclohexyl)benzene80944-44-180 % similar 4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene76802-61-462 % similar 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene79832-89-662 % similar 4-(trans-4-Pentylcyclohexyl)phenol82575-69-762 % similar 4-(trans-4-Pentylcyclohexyl)benzonitrile61204-01-157 % similar 4-Ethyl-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl79709-85-657 % similar 1-Methoxy-4-(trans-4-propylcyclohexyl)benzene81936-32-555 % similar 4-(trans-4-Butylcyclohexyl)phenol88581-00-455 % similar

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

Same formula

5α-Androst-16-en-3α-ol1153-51-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook