(Trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-methanol

C₁₆H₃₀OCAS 82562-85-4238.41 g/mol

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Properties

Molecular formula: C₁₆H₃₀O
Molar mass: 238.41 g/mol
Exact mass: 238.2297 Da
logP: 4.39Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

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

Identifiers

CAS number

82562-85-4

SMILES

CCCC1CCC(CC1)C2CCC(CC2)CO

InChIKey

ALAOSSIICXVRMS-UHFFFAOYSA-N

InChI

InChI=1S/C16H30O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h13-17H,2-12H2,1H3

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Names and synonyms

1 names

(Trans,trans)-4'-propyl-[1,1'-bicyclohexyl]-4-methanol

Work with (Trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-methanol

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

2-Propylheptanol10042-59-862 % similar (Trans,trans)-4′-Propyl[1,1′-bicyclohexyl]-4-ol82832-72-262 % 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 (Trans,trans)-4-Pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-758 % similar Cyclohexanedimethanol105-08-852 % similar Cyclopropanemethanol2516-33-852 % similar trans-1,4-Cyclohexanedimethanol3236-48-452 % 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-Methoxy-4′-propyl-1,1′-bicyclohexyl97398-80-6

Elsewhere

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