3,5-Dimethyl-1,2-cyclopentanedione

C₇H₁₀O₂CAS 13494-07-0126.15 g/mol

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Properties

Molecular formula: C₇H₁₀O₂
Molar mass: 126.15 g/mol
Exact mass: 126.0681 Da
Density: 0.5 g/mL (at 20 °C)
Melting point: 91–92 °C
logP: 0.80Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 1,602 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

13494-07-0

SMILES

CC1CC(C)C(=O)C1=O

InChIKey

MIDXCONKKJTLDX-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3

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Names and synonyms

1 names

1,2-Cyclopentanedione, 3,5-dimethyl-

Work with 3,5-Dimethyl-1,2-cyclopentanedione

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-Hydroxy-3-methyl-2-cyclopenten-1-one765-70-846 % similar (±)-3-Methyl-2-oxovaleric acid1460-34-041 % similar 2,6-Dimethylcyclohexanone2816-57-139 % similar 3,5,5-Trimethyl-1,2-cyclohexanedione57696-89-638 % similar (±)-Methyl 2-methylbutanoate868-57-537 % similar Pentanoic acid, 3-methyl-2-oxo-, calcium salt (2:1), (3S)-51828-96-737 % similar Calcium 3-methyl-2-oxopentanoate66872-75-137 % similar 2-Methylcyclopentanone1120-72-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1,3-cyclohexanedione1193-55-1 Cycloheptane-1,3-dione1194-18-9 3,4-Dimethyl 1,2-cyclopentandione13494-06-9 tert-Butyl propiolate13831-03-3 Methyl 2,4-hexadienoate1515-80-6 Methyl 3-methylenecyclobutanecarboxylate15963-40-3 2-Acetylcyclopentanone1670-46-8 2-Propen-1-yl 2-butenoate20474-93-5

Elsewhere

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