chempirical

(Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-ol

C15H28OCAS 82832-72-2224.39 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C15H28O
Molar mass
224.39 g/mol
Exact mass
224.2140 Da
logP
4.14Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3
Stereocentres
r, s, r, rin SMILES atom order

Identifiers

CAS number
82832-72-2
SMILES
CCC[C@H]1CC[C@H]([C@H]2CC[C@H](O)CC2)CC1
InChIKey
DFXWFFHIZJDOFZ-KTSLABGINA-N
InChI
InChI=1/C15H28O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h12-16H,2-11H2,1H3/t12-,13-,14-,15-

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Names and synonyms

2 names
  • [1,1′-Bicyclohexyl]-4-ol, 4′-propyl-, (trans,trans)-
  • (Trans,trans)-4′-Propyl-1,1′-bicyclohexyl-4-ol

Work with (Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-ol

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′-pentyl[1,1′-bicyclohexyl]-4-ol82575-70-073 % similar (Trans,trans)-4-ethyl-4′-propyl-1,1′-bicyclohexyl96624-41-860 % similar (Trans,trans)-4-butyl-4′-propyl-1,1′-bicyclohexyl96624-52-160 % similar 4-Heptanol589-55-959 % similar (Trans,trans)-4-pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-758 % similar [1,1′-Bicyclohexyl]-4,4′-diol20601-38-157 % similar 4-Ethylcyclohexanol4534-74-152 % similar (Trans,trans)-4-methoxy-4′-propyl-1,1′-bicyclohexyl97398-80-652 % similar

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

Same formula

Cyclopentadecanone502-72-7

Elsewhere

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