Adamantane-1-carboxylic acid methyl ester

C₁₂H₁₈O₂CAS 711-01-3194.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₈O₂
Molar mass: 194.27 g/mol
Exact mass: 194.1307 Da
logP: 2.38Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
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

711-01-3

SMILES

COC(=O)C12CC3CC(C1)CC(C3)C2

InChIKey

CLYOOVNORYNXMD-UHFFFAOYSA-N

InChI

InChI=1S/C12H18O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3

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Names and synonyms

1 names

Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, methyl ester

Work with Adamantane-1-carboxylic acid methyl ester

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

Ethyl 1-adamantanecarboxylate2094-73-760 % similar Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-758 % similar 1-Acetyladamantane1660-04-448 % similar 4-Aminobicyclo[2.2.2]octane-1-carboxylic acid methyl ester135908-33-747 % similar Dimethyl 1,1-cyclopropanedicarboxylate6914-71-246 % similar 1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate18720-35-945 % similar 1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate83249-10-945 % similar 1-Adamantanecarbonyl chloride2094-72-643 % similar

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

Same formula

Hexylresorcinol136-77-6 1,1-Dimethylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate154970-45-3 4-(Hexyloxy)phenol18979-55-0 [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-7 3,5-Di(propan-2-yl)phenyl hydroperoxide26762-93-6 α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol2948-46-1 7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)37777-16-5 1-Adamantaneacetic acid4942-47-6

Elsewhere

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