Potassium 3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ide

CAS Number: 675879-67-1
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[CH2-]C=C[Si](C)(C)C(C)(C)C.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
K.C9H19Si
Molecular Weight
155.336
Drug-likeness
-60.46
CAS
675879-67-1
InChI key
UQJWBQATUMZNOY-UHFFFAOYSA-N
SMILES
[CH2-]C=C[Si](C)(C)C(C)(C)C.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 675879-67-1
Molecule Name Potassium 3-[tert-butyl(dimethyl)silyl]prop-2-en-1-ide
Molecular Formula K.C9H19Si
SMILES [CH2-]C=C[Si](C)(C)C(C)(C)C.[K+]
InChI InChI=1S/C9H19Si.K/c1-7-8-10(5,6)9(2,3)4;/h7-8H,1H2,2-6H3;/q-1;+1
InChI Key UQJWBQATUMZNOY-UHFFFAOYSA-N
CanonicalSyTyLFy 2741bf7afaffcb05
TotalMolweight 194.434
Molecular Weight 155.336
MonoisotopicMass 155.125602
CLogP 3.1875
CLogS -1.974
TotalSurfaceArea 118.46
Drug-likeness -60.46
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.6
Molecula Flexibility 0.7391
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 10
NonCHAtoms 1
Rotatable Bond 2
Sp3Atoms 7
Symmetricatoms 3

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