1,1'-Ethynylenedicyclohexanol

C₁₄H₂₂O₂CAS 78-54-6222.33 g/mol

Open in Covalent MOL file

Alcohol Alkyne

Properties

Molecular formula: C₁₄H₂₂O₂
Molar mass: 222.33 g/mol
Exact mass: 222.1620 Da
logP: 2.38Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

78-54-6

SMILES

C1CCC(CC1)(C#CC2(CCCCC2)O)O

InChIKey

YMAIXWWPLZFJLA-UHFFFAOYSA-N

InChI

InChI=1S/C14H22O2/c15-13(7-3-1-4-8-13)11-12-14(16)9-5-2-6-10-14/h15-16H,1-10H2

Weigh it out

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

Names and synonyms

16 names · show all

1-[2-(1-Hydroxycyclohexyl)ethynyl]cyclohexan-1-ol
Bis(1-hydroxycyclohexyl)acetylene
Cyclohexanol, 1,1'-(1,2-ethynediyl)bis-
Cyclohexanol, 1,1'-ethynylenedi-
1,1'-(1,2-Ethynediyl)bis[cyclohexanol]
1,1'-(Ethyne-1,2-diyl)dicyclohexanol
1,1'-(Ethyne-1,2-diyl)bis(cyclohexan-1-ol)
1-[2-(1-Hydroxycyclohexyl)ethynyl]cyclohexanol
1,1-Ethynylenedicyclohexanol
1-[2-(Hydroxycyclohexyl)ethynyl]cyclohexan-1-ol
Cyclohexanol,1'-ethynylenedi-
1,1'-Ethyne-1,2-diyldicyclohexanol
1,2-Di(1-hydroxycyclohexyl)acetylene
Cyclohexanol,1'-(1,2-ethynediyl)bis-
1,1'-(Ethyne-1,2-diyl)di(cyclohexan-1-ol)
1-[2-(1-Hydroxycyclohexyl)-1-ethynyl]-1-cyclohexanol

Reactions

1,1'-ETHYNYLENE-bis-CYCLOHEXANOL (Cyclohexanol, 1,1'-ethynylenedi-)product

Work with 1,1'-Ethynylenedicyclohexanol

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

1-(1-Propynyl)cyclohexanol697-37-065 % similar 1-Hydroxycyclohexanecarbonitrile931-97-563 % similar 1-Ethynylcyclohexanol78-27-355 % similar 1-Ethynylcyclopentanol17356-19-350 % similar 1-Methylcyclohexanol590-67-038 % similar 1-Ethylcyclohexanol1940-18-735 % similar 1-Methylcyclopentanol1462-03-933 % similar 1,1'-Azobis(cyclohexanecarbonitrile)2094-98-633 % similar

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

Same formula

3,5-Di-tert-butylcatechol1020-31-1 4-(Octyloxy)phenol3780-50-5 Isobornyl methacrylate7534-94-3 2,5-Di-tert-butylhydroquinone88-58-4

Elsewhere

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