3-(Trimethylsilyl)propiolic acid

C₆H₁₀O₂SiCAS 5683-31-8142.23 g/mol

Open in Covalent MOL file

Alkyne Carboxylic acid

Properties

Molecular formula: C₆H₁₀O₂Si
Molar mass: 142.23 g/mol
Exact mass: 142.0450 Da
logP: 0.95Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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 41 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

5683-31-8

SMILES

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

InChIKey

IPEATTYBFBRNEB-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2Si/c1-9(2,3)5-4-6(7)8/h1-3H3,(H,7,8)

Weigh it out

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

Work with 3-(Trimethylsilyl)propiolic acid

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

Acetylenedicarboxylic acid142-45-052 % similar 4-(Trimethylsilyl)-3-butyn-2-one5930-98-350 % similar Tetrolic acid590-93-248 % similar 2-Hexynoic acid764-33-040 % similar Bis(trimethylsilyl)acetylene14630-40-138 % similar 2-Octynoic acid5663-96-736 % similar Monopotassium acetylenedicarboxylate928-04-135 % similar 1,4-Bis(trimethylsilyl)-1,3-butadiyne4526-07-235 % similar

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

Elsewhere

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