chempirical

4-(1,4-Dioxaspiro[4.5]dec-8-yl)cyclohexanone

C14H22O3CAS 56309-94-5238.33 g/mol

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OOO
AcetalEtherKetone

Properties

Molecular formula
C14H22O3
Molar mass
238.33 g/mol
Exact mass
238.1569 Da
Melting point
109 °C
logP
2.68Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
56309-94-5
SMILES
O=C1CCC(C2CCC3(CC2)OCCO3)CC1
InChIKey
ZNWLFTSPNBLXGL-UHFFFAOYSA-N
InChI
InChI=1S/C14H22O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h11-12H,1-10H2

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Names and synonyms

5 names
  • Cyclohexanone, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-
  • 1,4-Dioxaspiro[4.5]decane, cyclohexanone deriv.
  • 4,4′-Dicyclohexanedione monoethylene ketal
  • 4-(1,4-Dioxaspiro[4.5]deca-8-yl)cyclohexanone
  • 4-(7,10-Dioxaspiro[5.4]decan-3-yl)cyclohexan-1-one

Work with 4-(1,4-Dioxaspiro[4.5]dec-8-yl)cyclohexanone

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-one4746-97-863 % similar 4-Isopropylcyclohexanone5432-85-942 % similar 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one69225-59-840 % similar trans-4′-Propyl[1,1′-bicyclohexyl]-4-one82832-73-340 % similar trans-4′-Butyl[1,1′-bicyclohexyl]-4-one92413-47-338 % similar trans-4′-Pentyl[1,1′-bicyclohexyl]-4-one84868-02-037 % similar 4-Hydroxycyclohexanone13482-22-935 % similar 4-Methylcyclohexanone589-92-435 % similar

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

Elsewhere

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