chempirical

1,4-Dioxaspiro[4.5]decan-8-one

C8H12O3CAS 4746-97-8156.18 g/mol

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OOO
AcetalEtherKetone

Properties

Molecular formula
C8H12O3
Molar mass
156.18 g/mol
Exact mass
156.0786 Da
Melting point
73.5–74.5 °C
Boiling point
125–128 °C (at 12 Torr)
logP
0.87Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
4746-97-8
SMILES
O=C1CCC2(CC1)OCCO2
InChIKey
VKRKCBWIVLSRBJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2

Weigh it out

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

Names and synonyms

11 names
  • 1,4-Cyclohexanedione, cyclic 1,2-ethanediyl acetal
  • 4,4-(Ethylenedioxy)cyclohexanone
  • 1,4-Cyclohexanedione cyclic ethylene monoketal
  • 8-Oxo-1,4-dioxaspiro[4.5]decane
  • 1,4-Cyclohexanedione monoethylene acetal
  • Cyclohexane-1,4-dione mono(ethylene glycol ketal)
  • 1,4-Cyclohexanedione mono(ethylene ketal)
  • 4-(Ethylenedioxy)cyclohexanone
  • 1,4-Dioxaspiro[4.5]decane-8-one
  • 1,4-Cyclohexanedione ethylene monoketal
  • Cyclohexan-1,4-dione monoethylene ketal

Work with 1,4-Dioxaspiro[4.5]decan-8-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

4-(1,4-Dioxaspiro[4.5]dec-8-yl)cyclohexanone56309-94-563 % similar 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one69225-59-859 % similar 4,4-Difluorocyclohexanone22515-18-044 % similar Tetrahydro-4H-pyran-4-one29943-42-843 % similar 1,4-Dioxa-8-azaspiro[4.5]decane177-11-740 % similar 4-Oxo-1-phenylcyclohexanecarbonitrile25115-74-638 % similar Olean180-84-738 % similar 2,2-Dimethyltetrahydropyran-4-one1194-16-737 % similar

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

Same formula

Tetrahydrofurfuryl acrylate2399-48-6 Ethyl 3-cyclopropyl-3-oxopropanoate24922-02-9 3,4-Epoxycyclohexanecarboxylate methyl ester41088-52-2 Methyl 2-cyclohexanonecarboxylate41302-34-5 Methyl 7-hydroxyhept-5-ynoate50781-91-4 Ethyl 2-oxocyclopentanecarboxylate611-10-9 Methyl 4-oxocyclohexanecarboxylate6297-22-9

Elsewhere

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