(Trans,trans)-4-Methoxy-4′-propyl-1,1′-bicyclohexyl

C16H30OCAS 97398-80-6238.41 g/mol

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O
Ether

Properties

Molecular formula
C16H30O
Molar mass
238.41 g/mol
Exact mass
238.2297 Da
Melting point
10 °C
logP
4.80Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4
Stereocentres
r, s, r, rin SMILES atom order

Hazards

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

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Identifiers

CAS number
97398-80-6
SMILES
CCC[C@H]1CC[C@H]([C@H]2CC[C@H](OC)CC2)CC1
InChIKey
JMOYCPSDEMHCFG-BIAGXBKMNA-N
InChI
InChI=1/C16H30O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16-

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Names and synonyms

7 names
  • CC-3-O1
  • 1,1′-Bicyclohexyl, 4-methoxy-4′-propyl-, (trans,trans)-
  • Trans,trans-4-Methoxy-4′-propylcyclohexylcyclohexane
  • 3O1CCH
  • CCH 3O1
  • 3-HH-O1
  • CCH-301

Work with (Trans,trans)-4-Methoxy-4′-propyl-1,1′-bicyclohexyl

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

(Trans,trans)-4-Ethyl-4′-propyl-1,1′-bicyclohexyl96624-41-856 % similar (Trans,trans)-4-Butyl-4′-propyl-1,1′-bicyclohexyl96624-52-156 % similar (Trans,trans)-4-Pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-754 % similar (Trans,trans)-4′-Propyl[1,1′-bicyclohexyl]-4-ol82832-72-252 % similar (Trans,trans)-4-Ethenyl-4′-propyl-1,1′-bicyclohexyl116020-44-147 % similar (Trans,trans)-4-(1E)-1-Propen-1-yl-4′-propyl-1,1′-bicyclohexyl279246-65-047 % similar (Trans,trans)-4-Ethenyl-4'-propyl-1,1'-bicyclohexyl477557-80-547 % similar trans-4′-Propyl[1,1′-bicyclohexyl]-4-one82832-73-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(Z)-11-Hexadecenal53939-28-9 (±)-Muscone541-91-3 11-Hexadecyn-1-ol65686-49-9 7-Hexadecyn-1-ol822-21-9 (Trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-methanol82562-85-4

Elsewhere

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