(2,3-Dimethyloxiran-2-yl)(dimethyl)phenylsilane

CAS Number: 918422-66-9
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CC1OC1(C)[Si](C)(C)c1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C12H18OSi
Molecular Weight
206.36
Drug-likeness
-43.507
CAS
918422-66-9
InChI key
WEDRJJXQYSNGPV-UHFFFAOYSA-N
SMILES
CC1OC1(C)[Si](C)(C)c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 918422-66-9
Molecule Name (2,3-Dimethyloxiran-2-yl)(dimethyl)phenylsilane
Molecular Formula C12H18OSi
SMILES CC1OC1(C)[Si](C)(C)c1ccccc1
InChI InChI=1S/C12H18OSi/c1-10-12(2,13-10)14(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3
InChI Key WEDRJJXQYSNGPV-UHFFFAOYSA-N
CanonicalSyTyLFy 93ea872b3e26fbe8
TotalMolweight 206.36
Molecular Weight 206.36
MonoisotopicMass 206.112692
CLogP 3.723
CLogS -2.515
H Acceptors 1
TotalSurfaceArea 162.86
Relative PSA 0.10838
PolarSurfaceArea 12.53
Drug-likeness -43.507
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant high
Nasty Functions oxiran/aziridine
Shape Index 0.57143
Molecula Flexibility 0.49854
Molecular Complexity 0.65353
Fragments 1
Non HAtoms 14
NonCHAtoms 2
Electronegative Atoms 1
StereoCenters 2
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 7
Symmetricatoms 3
StereoCon unknown chirality

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