chempirical

8-Oxaspiro[4.5]decane-7,9-dione

C9H12O3CAS 5662-95-3168.19 g/mol

Open in Covalent MOL file
OOO
Acid anhydride

Properties

Molecular formula
C9H12O3
Molar mass
168.19 g/mol
Exact mass
168.0786 Da
Melting point
65.29 °C
logP
1.41Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
5662-95-3
SMILES
O=C1CC2(CCCC2)CC(=O)O1
InChIKey
GFWLMILMVMCJDI-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O3/c10-7-5-9(3-1-2-4-9)6-8(11)12-7/h1-6H2

Weigh it out

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

Names and synonyms

4 names
  • 1,1-Cyclopentanediacetic anhydride
  • 3,3-Tetramethyleneglutaric anhydride
  • 1,1-Cyclopentanediacetic acid anhydride
  • NSC 78448

Work with 8-Oxaspiro[4.5]decane-7,9-dione

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-Cyclohexane diacetic anhydride1010-26-095 % similar Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dione4160-82-148 % similar 1,1-Cyclopentanediacetic acid16713-66-946 % similar Glutaric anhydride108-55-445 % similar 1,1-Cyclohexanediacetic acid4355-11-744 % similar Adipic anhydride2035-75-843 % similar Succinic anhydride108-30-541 % similar 2,2-Dimethylsuccinic anhydride17347-61-438 % similar

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

Same formula

Ethyl 2-furanpropanoate10031-90-0 1,2,4-Trimethoxybenzene135-77-3 Rikacid mh19438-60-9 Homovanillyl alcohol2380-78-1 2,5-Dimethoxybenzyl alcohol33524-31-1 3-Phenoxy-1,2-propanediol538-43-2 2,3-Dimethoxybenzyl alcohol5653-67-8 1,3,5-Trimethoxybenzene621-23-8

Elsewhere

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