3-Trimethylsilylpropynal

C₆H₁₀OSiCAS 2975-46-4126.23 g/mol

Open in Covalent MOL file

Aldehyde Alkyne

Properties

Molecular formula: C₆H₁₀OSi
Molar mass: 126.23 g/mol
Exact mass: 126.0501 Da
logP: 1.07Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor12.8% of notifiers
H226 Flammable liquid and vapor87.2% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 47 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

2975-46-4

SMILES

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

InChIKey

LJRWLSKYGWLYIM-UHFFFAOYSA-N

InChI

InChI=1S/C6H10OSi/c1-8(2,3)6-4-5-7/h5H,1-3H3

Weigh it out

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

Work with 3-Trimethylsilylpropynal

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

Bis(trimethylsilyl)acetylene14630-40-144 % similar 1,4-Bis(trimethylsilyl)-1,3-butadiyne4526-07-240 % similar Trimethyl-1-propyn-1-ylsilane6224-91-536 % similar 1-Iodo-2-(trimethylsilyl)acetylene 9718163-47-835 % similar 4-(Trimethylsilyl)ethynylbenzaldehyde77123-57-034 % similar 4-(Trimethylsilyl)-3-butyn-2-one5930-98-333 % similar 3-(Trimethylsilyl)propiolic acid5683-31-832 % similar 1,4-Bis[(trimethylsilyl)ethynyl]benzene17938-13-531 % similar

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

Elsewhere

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