chempirical

1-Ethyladamantane

C12H20CAS 770-69-4164.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C12H20
Molar mass
164.29 g/mol
Exact mass
164.1565 Da
logP
3.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
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
770-69-4
SMILES
CCC12CC3CC(C1)CC(C3)C2
InChIKey
LXTHCCWEYOKFSR-UHFFFAOYSA-N
InChI
InChI=1S/C12H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3

Weigh it out

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Work with 1-Ethyladamantane

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[3.3.1.13,7]decane-1-methanamine17768-41-145 % similar Tricyclo[3.3.1.13,7]decane-1-methanol770-71-845 % similar Tricyclo[3.3.1.13,7]decane-1-ethanol6240-11-543 % similar Tricyclo(3.3.1.13,7)decane-1-acetonitrile16269-13-940 % similar 2-Ethyl-2-adamantanol14648-57-838 % similar 2,2-Diethyl-1,3-propanediol115-76-436 % similar Di-1-adamantylphosphine131211-27-336 % similar Bis(3-ethyl-3-oxetanylmethyl) ether18934-00-436 % similar

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

Same formula

Cyclohexylidenecyclohexane4233-18-5 1,3-Dimethyladamantane702-79-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook