chempirical

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

C17H32OCAS 82575-70-0252.44 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C17H32O
Molar mass
252.44 g/mol
Exact mass
252.2453 Da
logP
4.92Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5
Stereocentres
r, s, r, rin SMILES atom order

Identifiers

CAS number
82575-70-0
SMILES
CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](O)CC2)CC1
InChIKey
LGORKSSOIBSSJH-GARHLSDINA-N
InChI
InChI=1/C17H32O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-18H,2-13H2,1H3/t14-,15-,16-,17-

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Names and synonyms

3 names
  • [1,1′-Bicyclohexyl]-4-ol, 4′-pentyl-, (trans,trans)-
  • trans-4-(trans-Pentylcyclohexyl)cyclohexanol
  • (Trans,trans)-4′-Pentyl-1,1′-bicyclohexyl-4-ol

Work with (Trans,trans)-4′-pentyl[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′-propyl[1,1′-bicyclohexyl]-4-ol82832-72-273 % similar (Trans,trans)-4-pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-769 % similar 6-Undecanol23708-56-764 % similar 4-Nonanol5932-79-659 % similar (Trans,trans)-4-butyl-4′-propyl-1,1′-bicyclohexyl96624-52-159 % similar 4-Decanol2051-31-257 % similar Pentylcyclohexane4292-92-656 % similar Heptylcyclohexane5617-41-456 % similar

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

Elsewhere

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