(2-Chloro-1-iodohexyl)(trimethyl)silane

CAS Number: 67404-64-2
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CCCCC(C([Si](C)(C)C)I)Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C9H20ClISi
Molecular Weight
318.697
Drug-likeness
-51.89
CAS
67404-64-2
InChI key
YPESRDMZZNXHQI-UHFFFAOYSA-N
SMILES
CCCCC(C([Si](C)(C)C)I)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 67404-64-2
Molecule Name (2-Chloro-1-iodohexyl)(trimethyl)silane
Molecular Formula C9H20ClISi
SMILES CCCCC(C([Si](C)(C)C)I)Cl
InChI InChI=1S/C9H20ClISi/c1-5-6-7-8(10)9(11)12(2,3)4/h8-9H,5-7H2,1-4H3
InChI Key YPESRDMZZNXHQI-UHFFFAOYSA-N
CanonicalSyTyLFy 1ab2d8cb954a507a
TotalMolweight 318.697
Molecular Weight 318.697
MonoisotopicMass 318.006752
CLogP 5.531
CLogS -2.648
TotalSurfaceArea 184.02
Drug-likeness -51.89
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Nasty Functions sec./tert. alkyl-bromide/iodide
Shape Index 0.66667
Molecula Flexibility 0.80016
Molecular Complexity 0.57807
Fragments 1
Non HAtoms 12
NonCHAtoms 3
Electronegative Atoms 2
StereoCenters 2
Rotatable Bond 5
Sp3Atoms 9
Symmetricatoms 2
StereoCon unknown chirality

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