(2,5-Dimethylphenyl)(dimethyl)phenylsilane

CAS Number: 135609-07-3
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Cc1cc([Si](C)(C)c2ccccc2)c(C)cc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C16H20Si
Molecular Weight
240.421
Drug-likeness
-45.04
CAS
135609-07-3
InChI key
GATOIGDSKQCYMD-UHFFFAOYSA-N
SMILES
Cc1cc([Si](C)(C)c2ccccc2)c(C)cc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 135609-07-3
Molecule Name (2,5-Dimethylphenyl)(dimethyl)phenylsilane
Molecular Formula C16H20Si
SMILES Cc1cc([Si](C)(C)c2ccccc2)c(C)cc1
InChI InChI=1S/C16H20Si/c1-13-10-11-14(2)16(12-13)17(3,4)15-8-6-5-7-9-15/h5-12H,1-4H3
InChI Key GATOIGDSKQCYMD-UHFFFAOYSA-N
CanonicalSyTyLFy c7559911927afc8d
TotalMolweight 240.421
Molecular Weight 240.421
MonoisotopicMass 240.133427
CLogP 4.8472
CLogS -3.408
TotalSurfaceArea 195.56
Drug-likeness -45.04
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant high
Shape Index 0.52941
Molecula Flexibility 0.51733
Molecular Complexity 0.64123
Fragments 1
Non HAtoms 17
NonCHAtoms 1
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 4
Symmetricatoms 3

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