(1-Chlorohexyl)(dimethyl)phenylsilane

CAS Number: 135987-51-8
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CCCCCC([Si](C)(C)c1ccccc1)Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C14H23ClSi
Molecular Weight
254.876
Drug-likeness
-54.716
CAS
135987-51-8
InChI key
SCTSFRMOBCREAY-CQSZACIVSA-N
SMILES
CCCCCC([Si](C)(C)c1ccccc1)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 135987-51-8
Molecule Name (1-Chlorohexyl)(dimethyl)phenylsilane
Molecular Formula C14H23ClSi
SMILES CCCCCC([Si](C)(C)c1ccccc1)Cl
InChI InChI=1S/C14H23ClSi/c1-4-5-7-12-14(15)16(2,3)13-10-8-6-9-11-13/h6,8-11,14H,4-5,7,12H2,1-3H3/t14-/m1/s1
InChI Key SCTSFRMOBCREAY-CQSZACIVSA-N
CanonicalSyTyLFy a89bc81eed977a65
TotalMolweight 254.876
Molecular Weight 254.876
MonoisotopicMass 254.125754
CLogP 5.6526
CLogS -3.313
TotalSurfaceArea 206.5
Drug-likeness -54.716
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant high
Shape Index 0.6875
Molecula Flexibility 0.65065
Molecular Complexity 0.56985
Fragments 1
Non HAtoms 16
NonCHAtoms 2
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 6
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 8
Symmetricatoms 3
StereoCon racemate

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