3,4-Dimethyl 1,2-cyclopentandione

C₇H₁₀O₂CAS 13494-06-9126.15 g/mol

Properties

Molecular formula: C₇H₁₀O₂
Molar mass: 126.15 g/mol
Exact mass: 126.0681 Da
Melting point: 71–72 °C
Boiling point: 66 °C (at 1 Torr)
logP: 0.80Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Not classified as hazardous under GHS by 1,455 ECHA notifiers. Aggregated from 1,455 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

13494-06-9

SMILES

CC1CC(=O)C(=O)C1C

InChIKey

WGAVDEVFJDQIMZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

3,4-Dimethyl-1,2-cyclopentanedione
1,2-Cyclopentanedione, 3,4-dimethyl-

Work with 3,4-Dimethyl 1,2-cyclopentandione

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-one765-70-837 % similar 2,3,4,5-Tetramethyl-2-cyclopentenone54458-61-632 % similar 3,5,5-Trimethyl-1,2-cyclohexanedione57696-89-631 % similar Alpha-ketoisocaproic acid816-66-031 % 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 3,5-Dimethyl-1,2-cyclopentanedione13494-07-0 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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