4-(Trimethylsilyl)ethynylbenzaldehyde

C₁₂H₁₄OSiCAS 77123-57-0202.33 g/mol

Open in Covalent MOL file

Aldehyde Alkyne

Properties

Molecular formula: C₁₂H₁₄OSi
Molar mass: 202.33 g/mol
Exact mass: 202.0814 Da
logP: 2.73Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

77123-57-0

SMILES

C[Si](C)(C)C#CC1=CC=C(C=C1)C=O

InChIKey

UZQDUXAJFTWMDT-UHFFFAOYSA-N

InChI

InChI=1S/C12H14OSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7,10H,1-3H3

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Names and synonyms

1 names

4-(Trimethylsilylethynyl)benzaldehyde

Work with 4-(Trimethylsilyl)ethynylbenzaldehyde

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

1,4-Bis[(trimethylsilyl)ethynyl]benzene17938-13-565 % similar 1-Phenyl-2-(trimethylsilyl)acetylene2170-06-153 % similar (4-Bromophenylethynyl)trimethylsilane16116-78-253 % similar 4-Hex-1-ynylbenzaldehyde175203-90-447 % similar 4-Cyanobenzaldehyde105-07-747 % similar 1,3-Bis[(trimethylsilyl)ethynyl]benzene38170-80-847 % similar 4-Ethynylbenzaldehyde63697-96-147 % similar 1,4-Benzenedicarboxaldehyde623-27-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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