2-Acetyldimedone

C₁₀H₁₄O₃CAS 1755-15-3182.22 g/mol

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Properties

Molecular formula: C₁₀H₁₄O₃
Molar mass: 182.22 g/mol
Exact mass: 182.0943 Da
logP: 1.15Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1755-15-3

SMILES

CC(=O)C1C(=O)CC(CC1=O)(C)C

InChIKey

ITSKWKZDPHAQNK-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h9H,4-5H2,1-3H3

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

Names and synonyms

1 names

1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-

Work with 2-Acetyldimedone

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-Acetyl-1,3-cyclopentanedione3859-39-058 % similar 2,4,4-Trimethylcyclopentanone4694-12-645 % similar 4,4,5A-Trimethylperhydro-1-benzoxiren-2-one10276-21-840 % similar Dimedone126-81-838 % similar Cyclopentyl methyl ketone6004-60-038 % similar Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dione4160-82-137 % similar 3,3-Dimethylglutaric acid4839-46-737 % similar Cyclohexyl methyl ketone823-76-737 % similar

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

Same formula

1,1-Cyclohexane diacetic anhydride1010-26-0 3-(Benzyloxy)-1,2-propanediol13071-59-5 Vanillyl ethyl ether13184-86-6 2-(Phenylmethoxy)-1,3-propanediol14690-00-7 3-(Benzyloxy)propane-1,2-diol17325-85-8 Anisaldehyde dimethyl acetal2186-92-7 Dihydroconiferyl alcohol2305-13-7 Furfuryl pentanoate36701-01-6

Elsewhere

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