2,8-Dimethylnonane-4,6-dione

C₁₁H₂₀O₂CAS 7307-08-6184.28 g/mol

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Properties

Molecular formula: C₁₁H₂₀O₂
Molar mass: 184.28 g/mol
Exact mass: 184.1463 Da
logP: 2.61Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

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

7307-08-6

SMILES

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

InChIKey

GJMUCDMIIVSROW-UHFFFAOYSA-N

InChI

InChI=1S/C11H20O2/c1-8(2)5-10(12)7-11(13)6-9(3)4/h8-9H,5-7H2,1-4H3

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Names and synonyms

3 names

2,8-Dimethyl-4,6-nonanedione
4,6-Nonanedione, 2,8-dimethyl-
2,8-Dimethyl-nonane-4,6-dione

Work with 2,8-Dimethylnonane-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

Isobutyl ketone108-83-878 % similar 6-Methyl-2,4-heptanedione3002-23-170 % similar 2,2,7-Trimethyl-3,5-octanedione69725-37-764 % similar 5-Methylcyclohexane-1,3-dione4341-24-662 % similar 1,1,1-Trifluoro-6-methyl-2,4-heptanedione461-92-759 % similar 2,6,8-Trimethyl-4-nonanone123-18-256 % similar 4-Methyl-1-phenyl-2-pentanone5349-62-248 % similar 3,5-Dioxocyclohexanecarboxylic acid42858-60-648 % similar

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

Same formula

2-Ethylhexyl acrylate103-11-7 γ-Undecalactone104-67-6 Citronellyl formate105-85-1 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-4 Undecylenic acid112-38-9 Octyl acrylate2499-59-4 Isooctyl acrylate29590-42-9 cis-3-Hexenyl isovalerate35154-45-1

Elsewhere

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