3,7-Diethylnonane-4,6-dione

C₁₃H₂₄O₂CAS 872802-98-7212.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₄O₂
Molar mass: 212.33 g/mol
Exact mass: 212.1776 Da
logP: 3.39Crippen 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

872802-98-7

SMILES

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

InChIKey

MFELLNQJMHCAKI-UHFFFAOYSA-N

InChI

InChI=1S/C13H24O2/c1-5-10(6-2)12(14)9-13(15)11(7-3)8-4/h10-11H,5-9H2,1-4H3

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Names and synonyms

1 names

3,7-Diethyl-4,6-nonanedione

Work with 3,7-Diethylnonane-4,6-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

2-Ethyl-1,3-cyclopentanedione823-36-948 % similar 2-Ethylbutyryl chloride2736-40-546 % similar 2-Ethylbutanoic acid88-09-546 % similar 2,6-Dimethyl-3,5-heptanedione18362-64-645 % similar 4-Hydroxy-3-hexanone4984-85-441 % similar Ethyl 3-cyclopropyl-3-oxopropanoate24922-02-940 % similar Methyl β-oxocyclopropanepropanoate32249-35-738 % similar Ethyl 3-cyclopentyl-3-oxopropanoate24922-00-738 % similar

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

Same formula

Citronellyl propionate141-14-0 Decyl acrylate2156-96-9 2-Decyl acrylic Acid52756-21-5 1-(2-Hydroxy-1-methyl-ethyl)-7A-methyl-octahydro-inden-4-ol64190-52-9 Ethyl 10-undecenoate692-86-4

Elsewhere

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