Potassium diphenyl(trimethylsilyl)methanide

CAS Number: 179261-28-0
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C[Si](C)(C)[C-](c1ccccc1)c1ccccc1.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
K.C16H19Si
Molecular Weight
239.413
Drug-likeness
-23.518
CAS
179261-28-0
InChI key
DEOCGUFKJQMVGO-UHFFFAOYSA-N
SMILES
C[Si](C)(C)[C-](c1ccccc1)c1ccccc1.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 179261-28-0
Molecule Name Potassium diphenyl(trimethylsilyl)methanide
Molecular Formula K.C16H19Si
SMILES C[Si](C)(C)[C-](c1ccccc1)c1ccccc1.[K+]
InChI InChI=1S/C16H19Si.K/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;/h4-13H,1-3H3;/q-1;+1
InChI Key DEOCGUFKJQMVGO-UHFFFAOYSA-N
CanonicalSyTyLFy 764e67d785d4d2f1
TotalMolweight 278.511
Molecular Weight 239.413
MonoisotopicMass 239.125602
CLogP 5.0749
CLogS -5.544
TotalSurfaceArea 190.05
Drug-likeness -23.518
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.52941
Molecula Flexibility 0.44797
Molecular Complexity 0.51966
Fragments 2
Non HAtoms 17
NonCHAtoms 1
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 4
Symmetricatoms 10

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