chempirical

Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-dione

C9H14O3CAS 185815-59-2170.21 g/mol

Open in Covalent MOL file
OOO
Acid anhydride

Properties

Molecular formula
C9H14O3
Molar mass
170.21 g/mol
Exact mass
170.0943 Da
logP
1.51Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
185815-59-2
SMILES
CC(C)CC1CC(=O)OC(=O)C1
InChIKey
XLSGYCWYKZCYCK-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O3/c1-6(2)3-7-4-8(10)12-9(11)5-7/h6-7H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • 2H-Pyran-2,6(3H)-dione, dihydro-4-(2-methylpropyl)-
  • 3-Isobutylglutaric anhydride

Work with Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-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

Isovaleric anhydride1468-39-974 % similar Dihydro-4-methyl-2H-pyran-2,6(3H)-dione4166-53-454 % similar 3-Isobutylglutaric acid75143-89-452 % similar 4-(2-Methylpropyl)piperidine-2,6-dione916982-10-052 % similar Methyl isovalerate556-24-150 % similar Isobutyl isovalerate589-59-348 % similar Ethyl isovalerate108-64-547 % similar Isoamyl isovalerate659-70-145 % similar

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

Same formula

2-Furfural diethyl acetal13529-27-6 Ethyl 2-oxocyclohexanecarboxylate1655-07-8 Ethyl 4-oxocyclohexanecarboxylate17159-79-4 Ethyl 2-(2-oxocyclopentyl)acetate20826-94-2 Tetrahydrofurfuryl methacrylate2455-24-5 Ethyl 3-oxocyclohexanecarboxylate33668-25-6 (1R,4R)-Methyl 4-formylcyclohexanecarboxylate54274-80-5 (R)-1,4-Dioxaspiro[4,5]decane-2-carboxaldehyde78008-36-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook