3,7-Diethyl-3,7-dimethyl-4,6-nonanedione

C₁₅H₂₈O₂CAS 865193-73-3240.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₈O₂
Molar mass: 240.39 g/mol
Exact mass: 240.2089 Da
logP: 4.17Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 8

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

865193-73-3

SMILES

CCC(C)(CC)C(=O)CC(=O)C(C)(CC)CC

InChIKey

QCIMLTPFBSDZNO-UHFFFAOYSA-N

InChI

InChI=1S/C15H28O2/c1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4/h7-11H2,1-6H3

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Names and synonyms

1 names

3,7-Diethyl-3,7-dimethylnonane-4,6-dione

Work with 3,7-Diethyl-3,7-dimethyl-4,6-nonanedione

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

2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-450 % similar Ethosuximide77-67-839 % similar 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione22767-90-439 % similar 2-n-Butyl-2-methylcyclohexanone1197-78-038 % similar 2,2-Dimethyl-3-hexanone5405-79-837 % similar Methyl 4,4-dimethyl-3-oxopentanoate55107-14-737 % similar Hexafluoroacetylacetone1522-22-136 % similar Dimethyl diethylmalonate27132-23-634 % similar

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

Same formula

Pentadecalactone106-02-5 Lauryl acrylate2156-97-0 Hydrogenated bisphenol A80-04-6

Elsewhere

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