(2,3-Dihydro-1H-inden-1-yl)(ethoxy)dimethylsilane

CAS Number: 41273-53-4
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CCO[Si](C)(C)C(CC1)c2c1cccc2
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C13H20OSi
Molecular Weight
220.387
Drug-likeness
-69.428
CAS
41273-53-4
InChI key
PJUIFNVDMDKVJC-ZDUSSCGKSA-N
SMILES
CCO[Si](C)(C)C(CC1)c2c1cccc2
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 41273-53-4
Molecule Name (2,3-Dihydro-1H-inden-1-yl)(ethoxy)dimethylsilane
Molecular Formula C13H20OSi
SMILES CCO[Si](C)(C)C(CC1)c2c1cccc2
InChI InChI=1S/C13H20OSi/c1-4-14-15(2,3)13-10-9-11-7-5-6-8-12(11)13/h5-8,13H,4,9-10H2,1-3H3/t13-/m0/s1
InChI Key PJUIFNVDMDKVJC-ZDUSSCGKSA-N
CanonicalSyTyLFy 7e280f206dece846
TotalMolweight 220.387
Molecular Weight 220.387
MonoisotopicMass 220.128342
CLogP 3.5896
CLogS -3.291
H Acceptors 1
TotalSurfaceArea 173.82
Relative PSA 0.057531
PolarSurfaceArea 9.23
Drug-likeness -69.428
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.6
Molecula Flexibility 0.47592
Molecular Complexity 0.72591
Fragments 1
Non HAtoms 15
NonCHAtoms 2
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 8
Symmetricatoms 1
StereoCon racemate

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