2-(Tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol

C₁₂H₂₀OCAS 6240-11-5180.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₀O
Molar mass: 180.29 g/mol
Exact mass: 180.1514 Da
Melting point: 76 °C
logP: 2.59Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

6240-11-5

SMILES

OCCC12CC3CC(CC(C3)C1)C2

InChIKey

ZBIDZPHRNBZTLT-UHFFFAOYSA-N

InChI

InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2

Weigh it out

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

Names and synonyms

9 names

Tricyclo[3.3.1.13,7]decane-1-ethanol
1-Adamantaneethanol
1-(2-Hydroxyethyl)adamantane
2-(1-Adamantyl)ethanol
1-Adamantylethanol
2-(1-Adamantyl)ethyl alcohol
2-(1-Adamantyl)-1-ethanol
2-(Adamantan-1-yl)ethanol
2-(Adamantan-1-yl)ethan-1-ol

Work with 2-(Tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol

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

Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol770-71-857 % similar Tricyclo(3.3.1.13,7)dec-1-ylmethylamine17768-41-143 % similar 1-Ethyladamantane770-69-443 % similar 1-Adamantanol768-95-641 % similar 1-Adamantaneacetic acid4942-47-639 % similar Tricyclo(3.3.1.13,7)decane-1-acetonitrile16269-13-938 % similar 3-(Hydroxymethyl)adamantan-1-ol38584-37-138 % similar Di-1-adamantylphosphine131211-27-335 % similar

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

Same formula

2-Ethyl-2-adamantanol14648-57-8 (E,E)-2,4-Dodecadienal21662-16-8 1-Hydroxy-3,5-dimethyladamantane707-37-9 2-Cyclohexylcyclohexanone90-42-6

Elsewhere

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