(2,2-Diphenoxyethenyl)(trimethyl)silane

CAS Number: 96694-16-5
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C[Si](C)(C)C=C(Oc1ccccc1)Oc1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C17H20O2Si
Molecular Weight
284.43
Drug-likeness
-49.214
CAS
96694-16-5
InChI key
MDRSWHGIPMWABT-UHFFFAOYSA-N
SMILES
C[Si](C)(C)C=C(Oc1ccccc1)Oc1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 96694-16-5
Molecule Name (2,2-Diphenoxyethenyl)(trimethyl)silane
Molecular Formula C17H20O2Si
SMILES C[Si](C)(C)C=C(Oc1ccccc1)Oc1ccccc1
InChI InChI=1S/C17H20O2Si/c1-20(2,3)14-17(18-15-10-6-4-7-11-15)19-16-12-8-5-9-13-16/h4-14H,1-3H3
InChI Key MDRSWHGIPMWABT-UHFFFAOYSA-N
CanonicalSyTyLFy d8c1b5ca5f22b36a
TotalMolweight 284.43
Molecular Weight 284.43
MonoisotopicMass 284.123257
CLogP 5.4258
CLogS -5.063
H Acceptors 2
TotalSurfaceArea 228.01
Relative PSA 0.087715
PolarSurfaceArea 18.46
Drug-likeness -49.214
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.55
Molecula Flexibility 0.51474
Molecular Complexity 0.58727
Fragments 1
Non HAtoms 20
NonCHAtoms 3
Electronegative Atoms 2
Rotatable Bond 5
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 5
Symmetricatoms 11

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