(1,1'-Bi(cyclohexane))-2,2'-diol

C₁₂H₂₂O₂CAS 17385-36-3198.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₂O₂
Molar mass: 198.31 g/mol
Exact mass: 198.1620 Da
logP: 2.09Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

17385-36-3

SMILES

C1CCC(C(C1)C2CCCCC2O)O

InChIKey

YHGWPWYUVDZVEX-UHFFFAOYSA-N

InChI

InChI=1S/C12H22O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h9-14H,1-8H2

Weigh it out

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

Names and synonyms

1 names

[1,1'-Bicyclohexyl]-2,2'-diol

Work with (1,1'-Bi(cyclohexane))-2,2'-diol

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-1,2-Cyclohexanediol1460-57-767 % similar cis-1,2-Cyclohexanediol1792-81-067 % similar Cyclohexane-1,2-diol931-17-967 % similar 2-Chlorocyclohexanol1561-86-048 % similar 2-Methylcyclohexanol583-59-548 % similar cis-2-Methylcyclohexanol7443-70-148 % similar (1R,2R)-2-Aminocyclohexanol931-16-848 % similar 2-tert-Butylcyclohexanol13491-79-742 % similar

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

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1 γ-Dodecalactone2305-05-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook