4-(Trimethylsilyl)-3-butyn-2-one

C₇H₁₂OSiCAS 5930-98-3140.26 g/mol

Open in Covalent MOL file

Alkyne Ketone

Properties

Molecular formula: C₇H₁₂OSi
Molar mass: 140.26 g/mol
Exact mass: 140.0657 Da
logP: 1.46Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor97.7% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.5% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

5930-98-3

SMILES

CC(=O)C#C[Si](C)(C)C

InChIKey

NQEZDDPEJMKMOS-UHFFFAOYSA-N

InChI

InChI=1S/C7H12OSi/c1-7(8)5-6-9(2,3)4/h1-4H3

Weigh it out

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

Work with 4-(Trimethylsilyl)-3-butyn-2-one

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

3-(Trimethylsilyl)propiolic acid5683-31-850 % similar Bis(trimethylsilyl)acetylene14630-40-140 % similar 1,4-Bis(trimethylsilyl)-1,3-butadiyne4526-07-236 % similar 3-Butyn-2-one1423-60-536 % similar 4-Phenyl-3-butyn-2-one1817-57-835 % similar 3-Trimethylsilylpropynal2975-46-433 % similar Trimethyl-1-propyn-1-ylsilane6224-91-533 % similar 1-Iodo-2-(trimethylsilyl)acetylene 9718163-47-832 % similar

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

Elsewhere

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