(2,6-Dimethylphenyl)(methylidene)(2-methylphenyl)silane

CAS Number: 646522-58-9
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Cc(cccc1)c1[Si](c1c(C)cccc1C)=C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C16H18Si
Molecular Weight
238.405
Drug-likeness
-19.56
CAS
646522-58-9
InChI key
KPJOUCLOKHZTFI-UHFFFAOYSA-N
SMILES
Cc(cccc1)c1[Si](c1c(C)cccc1C)=C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 646522-58-9
Molecule Name (2,6-Dimethylphenyl)(methylidene)(2-methylphenyl)silane
Molecular Formula C16H18Si
SMILES Cc(cccc1)c1[Si](c1c(C)cccc1C)=C
InChI InChI=1S/C16H18Si/c1-12-8-5-6-11-15(12)17(4)16-13(2)9-7-10-14(16)3/h5-11H,4H2,1-3H3
InChI Key KPJOUCLOKHZTFI-UHFFFAOYSA-N
CanonicalSyTyLFy c020809a7d148383
TotalMolweight 238.405
Molecular Weight 238.405
MonoisotopicMass 238.117777
CLogP 3.7977
CLogS -3.372
TotalSurfaceArea 187.84
Drug-likeness -19.56
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.52941
Molecula Flexibility 0.40962
Molecular Complexity 0.62778
Fragments 1
Non HAtoms 17
NonCHAtoms 1
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 3
Symmetricatoms 3

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