2-Methyl-tetrahydropyran-4-one

C₆H₁₀O₂CAS 1193-20-0114.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀O₂
Molar mass: 114.14 g/mol
Exact mass: 114.0681 Da
logP: 0.75Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

1193-20-0

SMILES

CC1CC(=O)CCO1

InChIKey

MQOPUXINXNVMKJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2/c1-5-4-6(7)2-3-8-5/h5H,2-4H2,1H3

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Names and synonyms

1 names

2-Methyltetrahydro-4H-pyran-4-one

Work with 2-Methyl-tetrahydropyran-4-one

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

3-Methylcyclopentanone1757-42-241 % similar Coffee furanone3188-00-940 % similar (Rs)-3-methylcyclohexanone591-24-239 % similar Tetrahydro-4H-pyran-4-one29943-42-838 % similar β-Butyrolactone3068-88-038 % similar Isobutyl ketone108-83-837 % similar (±)-Muscone541-91-336 % similar 3-Oxotetrahydrofuran22929-52-836 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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