chempirical

(S)-2-Methoxycyclohexanone

C7H12O2CAS 155320-76-6128.17 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C7H12O2
Molar mass
128.17 g/mol
Exact mass
128.0837 Da
logP
1.14Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
155320-76-6
SMILES
CO[C@H]1CCCCC1=O
InChIKey
JYJURPHZXCLFDX-ZETCQYMHSA-N
InChI
InChI=1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3/t7-/m0/s1

Weigh it out

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

Work with (S)-2-Methoxycyclohexanone

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-Methylcyclohexanone583-60-854 % similar Methyl 2-cyclohexanonecarboxylate41302-34-548 % similar 3-Methoxy-2-piperidone25219-59-445 % similar 2-Methylcyclopentanone1120-72-545 % similar 2-tert-Butylcyclohexanone1728-46-744 % similar 2-Acetylcyclohexanone874-23-744 % similar 2-Bromocyclohexanone822-85-543 % similar 2-Chlorocyclohexanone822-87-743 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

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