3-Ethoxyhexanal diethyl acetal

C₁₂H₂₆O₃CAS 101-33-7218.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₆O₃
Molar mass: 218.34 g/mol
Exact mass: 218.1882 Da
logP: 2.98Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 10

Identifiers

CAS number

101-33-7

SMILES

CCCC(CC(OCC)OCC)OCC

InChIKey

SYPLTTUVUZHTJR-UHFFFAOYSA-N

InChI

InChI=1S/C12H26O3/c1-5-9-11(13-6-2)10-12(14-7-3)15-8-4/h11-12H,5-10H2,1-4H3

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Names and synonyms

1 names

1,1,3-Triethoxyhexane

Work with 3-Ethoxyhexanal diethyl acetal

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

1,1,3,3-Tetraethoxypropane122-31-657 % similar 1,1-Diethoxyhexane3658-93-350 % similar 3-Chloro-1,1-diethoxypropane35573-93-441 % similar 1,1,3-Triethoxypropane7789-92-641 % similar 2-Chloro-1,1-diethoxyethane621-62-539 % similar 2,2-Diethoxyethanol621-63-639 % similar 4-Chlorobutyraldehyde diethyl acetal6139-83-939 % similar 4,4-Diethoxy-1-butanamine6346-09-439 % similar

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

Same formula

Diethylene glycol dibutyl ether112-73-2

Elsewhere

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