2-Ethyl-2-adamantanol

C₁₂H₂₀OCAS 14648-57-8180.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₀O
Molar mass: 180.29 g/mol
Exact mass: 180.1514 Da
logP: 2.58Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

14648-57-8

SMILES

CCC1(C2CC3CC(C2)CC1C3)O

InChIKey

YUBKBLFRGDNIDR-UHFFFAOYSA-N

InChI

InChI=1S/C12H20O/c1-2-12(13)10-4-8-3-9(6-10)7-11(12)5-8/h8-11,13H,2-7H2,1H3

Weigh it out

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Work with 2-Ethyl-2-adamantanol

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-Methyl-2-adamantanol702-98-746 % similar 2-Isopropyladamantan-2-ol38432-77-843 % similar 1-Ethyladamantane770-69-438 % similar 3-Ethyl-3-pentanol597-49-933 % similar 2-Ethyl-2-adamantyl methacrylate209982-56-933 % similar tert-Amyl alcohol75-85-431 % similar 1-Adamantanol768-95-631 % similar 3-Methyl-3-pentanol77-74-731 % similar

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

Same formula

(E,E)-2,4-Dodecadienal21662-16-8 Tricyclo[3.3.1.13,7]decane-1-ethanol6240-11-5 1-Hydroxy-3,5-dimethyladamantane707-37-9 2-Cyclohexylcyclohexanone90-42-6

Elsewhere

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