3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one

C₁₁H₁₈O₃CAS 69225-59-8198.26 g/mol

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Acetal Ether Ketone

Properties

Molecular formula: C₁₁H₁₈O₃
Molar mass: 198.26 g/mol
Exact mass: 198.1256 Da
Melting point: 48–49.5 °C
Boiling point: 70 °C (at 0.05 Torr)
logP: 1.90Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

69225-59-8

SMILES

CC1(C)COC2(CCC(=O)CC2)OC1

InChIKey

COKVDTKAWIFNTH-UHFFFAOYSA-N

InChI

InChI=1S/C11H18O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3-8H2,1-2H3

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Names and synonyms

2 names

1,5-Dioxaspiro[5.5]undecan-9-one, 3,3-dimethyl-
1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)

Work with 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-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

1,4-Dioxaspiro[4.5]decan-8-one4746-97-859 % similar 3,3-Dimethylcyclohexanone2979-19-341 % similar 2,2-Dimethyltrimethylene carbonate3592-12-940 % similar 4-(1,4-Dioxaspiro[4.5]dec-8-yl)cyclohexanone56309-94-540 % similar 3,3,5,5-Tetramethylcyclohexanone14376-79-537 % similar 4,4-Difluorocyclohexanone22515-18-037 % similar 2,2-Dimethyltetrahydropyran-4-one1194-16-735 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-434 % similar

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

Elsewhere

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