(1H-Inden-1-yl)(dimethyl)(prop-2-en-1-yl)silane

CAS Number: 583029-93-0
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C[Si](C)(CC=C)C(C=C1)c2c1cccc2
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C14H18Si
Molecular Weight
214.383
Drug-likeness
-65.436
CAS
583029-93-0
InChI key
CUVUEMMPVGSMTP-AWEZNQCLSA-N
SMILES
C[Si](C)(CC=C)C(C=C1)c2c1cccc2
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 583029-93-0
Molecule Name (1H-Inden-1-yl)(dimethyl)(prop-2-en-1-yl)silane
Molecular Formula C14H18Si
SMILES C[Si](C)(CC=C)C(C=C1)c2c1cccc2
InChI InChI=1S/C14H18Si/c1-4-11-15(2,3)14-10-9-12-7-5-6-8-13(12)14/h4-10,14H,1,11H2,2-3H3/t14-/m0/s1
InChI Key CUVUEMMPVGSMTP-AWEZNQCLSA-N
CanonicalSyTyLFy ec4ed946c3ed773b
TotalMolweight 214.383
Molecular Weight 214.383
MonoisotopicMass 214.117777
CLogP 4.5176
CLogS -6.503
TotalSurfaceArea 175.08
Drug-likeness -65.436
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.6
Molecula Flexibility 0.46848
Molecular Complexity 0.69536
Fragments 1
Non HAtoms 15
NonCHAtoms 1
StereoCenters 1
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 1
StereoCon racemate

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