1,4-Cyclohexanedione bis(ethylene ketal)

C10H16O4CAS 183-97-1200.23 g/mol

Open in Covalent MOL file
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AcetalEther

Properties

Molecular formula
C10H16O4
Molar mass
200.23 g/mol
Exact mass
200.1049 Da
logP
1.05Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
183-97-1
SMILES
C1CC2(CCC13OCCO3)OCCO2
InChIKey
YSMVSEYPOBXSOK-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O4/c1-2-10(13-7-8-14-10)4-3-9(1)11-5-6-12-9/h1-8H2

Weigh it out

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

Work with 1,4-Cyclohexanedione bis(ethylene ketal)

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-Dioxa-8-azaspiro(4.5)decane177-11-759 % similar 1,4-Dioxaspiro[4.5]decane-8,8-diyldimethanol1256546-72-158 % similar Olean180-84-756 % similar 1,4-Dioxa-spiro[4.5]decan-8-ol22428-87-150 % similar 1,4-Dioxa-8-azaspiro(4.5)decane hydrochloride42899-11-650 % similar 1,4-Dioxaspiro[4.5]decan-8-one4746-97-850 % similar 1,4-Dioxa-spiro[4.5]dec-8-ylamine97096-16-750 % similar 4-Cyanocyclohexanone cyclic ethylene acetal69947-09-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2-Oxiranylmethoxy)butyl 2-propenoate119692-59-0 d-Camphoric acid124-83-4 3,3,6,6-Tetramethoxycyclohexa-1,4-diene15791-03-4 Diethyl allylmalonate2049-80-1 1,4-Dipropyl (2Z)-2-butenedioate2432-63-5 Ethyl 4-acetyl-5-oxohexanoate2832-10-2 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-2 Diethyl 1,1-cyclobutanedicarboxylate3779-29-1

Elsewhere

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