(2,5-Dimethylphenyl)(dimethyl)octylsilane

CAS Number: 184687-89-6
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CCCCCCCC[Si](C)(C)c1c(C)ccc(C)c1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C18H32Si
Molecular Weight
276.538
Drug-likeness
-84.378
CAS
184687-89-6
InChI key
UDFPKQLZZWLFLZ-UHFFFAOYSA-N
SMILES
CCCCCCCC[Si](C)(C)c1c(C)ccc(C)c1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 184687-89-6
Molecule Name (2,5-Dimethylphenyl)(dimethyl)octylsilane
Molecular Formula C18H32Si
SMILES CCCCCCCC[Si](C)(C)c1c(C)ccc(C)c1
InChI InChI=1S/C18H32Si/c1-6-7-8-9-10-11-14-19(4,5)18-15-16(2)12-13-17(18)3/h12-13,15H,6-11,14H2,1-5H3
InChI Key UDFPKQLZZWLFLZ-UHFFFAOYSA-N
CanonicalSyTyLFy c0e5c34d68f41dcc
TotalMolweight 276.538
Molecular Weight 276.538
MonoisotopicMass 276.227327
CLogP 7.1389
CLogS -6.604
TotalSurfaceArea 244.38
Drug-likeness -84.378
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.68421
Molecula Flexibility 0.59698
Molecular Complexity 0.63634
Fragments 1
Non HAtoms 19
NonCHAtoms 1
Rotatable Bond 8
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 12
Symmetricatoms 1

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