1,1-Diethoxycyclohexane

C₁₀H₂₀O₂CAS 1670-47-9172.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₀O₂
Molar mass: 172.27 g/mol
Exact mass: 172.1463 Da
Density: 0.916 g/mL (at 20 °C)
Boiling point: 75–76 °C (at 13 Torr)
logP: 2.72Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

1670-47-9

SMILES

CCOC1(OCC)CCCCC1

InChIKey

MWUDABUKTZAZCX-UHFFFAOYSA-N

InChI

InChI=1S/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

Cyclohexane, 1,1-diethoxy-
Cyclohexanone, diethyl acetal
Cyclohexanone diethyl ketal

Work with 1,1-Diethoxycyclohexane

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

Olean180-84-748 % similar 1,1,1-Triethoxypentane919-29-944 % similar Triethyl orthopropionate115-80-041 % similar 2,2-Diethoxypropane126-84-141 % similar Ethyl tert-butyl ether637-92-341 % similar Triethyl orthoacetate78-39-741 % similar 1,1-Bis(1-methylethoxy)cyclohexane1132-95-240 % similar 1,1-Bis(tert-butylperoxy)cyclohexane3006-86-840 % similar

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

Same formula

2-Ethylhexyl acetate103-09-3 Isobutyl hexanoate105-79-3 Ethyl octanoate106-32-1 Hydroxycitronellal107-75-5 Octyl acetate112-14-1 4-Ethyloctanoic acid16493-80-4 Methyl nonanoate1731-84-6 Pentyl pentanoate2173-56-0

Elsewhere

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