4-Trimethylsilyl-3-butyn-2-ol

C₇H₁₄OSiCAS 6999-19-5142.27 g/mol

Open in Covalent MOL file

Alcohol Alkyne

Properties

Molecular formula: C₇H₁₄OSi
Molar mass: 142.27 g/mol
Exact mass: 142.0814 Da
logP: 1.25Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor11.4% of notifiers
H315 Causes skin irritation88.6% of notifiers
H319 Causes serious eye irritation88.6% of notifiers
H335 May cause respiratory irritation88.6% 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

6999-19-5

SMILES

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

InChIKey

HJJSDJHRTMFJLP-UHFFFAOYSA-N

InChI

InChI=1S/C7H14OSi/c1-7(8)5-6-9(2,3)4/h7-8H,1-4H3

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Names and synonyms

1 names

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

Work with 4-Trimethylsilyl-3-butyn-2-ol

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-Hexyne-2,5-diol3031-66-155 % similar (Cyclopropylethynyl)trimethylsilane81166-84-944 % similar 3-Hexyn-2-ol109-50-241 % similar Bis(trimethylsilyl)acetylene14630-40-140 % similar 1,4-Bis(trimethylsilyl)-1,3-butadiyne4526-07-236 % similar 3-Butyn-2-ol2028-63-936 % similar (S)-(-)-1-Butyn-3-ol2914-69-436 % similar (+)-1-Butyn-3-ol42969-65-336 % similar

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

Same formula

2-(Trimethylsilyloxy)-1,3-butadiene38053-91-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook