(1,4-Phenylene)bis[ethynyl(dimethyl)silane]

CAS Number: 1871-88-1
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C[Si](C)(c(cc1)ccc1[Si](C)(C)C#C)C#C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C14H18Si2
Molecular Weight
242.469
Drug-likeness
-44.938
CAS
1871-88-1
InChI key
QEBBZORCIZDBAX-UHFFFAOYSA-N
SMILES
C[Si](C)(c(cc1)ccc1[Si](C)(C)C#C)C#C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 1871-88-1
Molecule Name (1,4-Phenylene)bis[ethynyl(dimethyl)silane]
Molecular Formula C14H18Si2
SMILES C[Si](C)(c(cc1)ccc1[Si](C)(C)C#C)C#C
InChI InChI=1S/C14H18Si2/c1-7-15(3,4)13-9-11-14(12-10-13)16(5,6)8-2/h1-2,9-12H,3-6H3
InChI Key QEBBZORCIZDBAX-UHFFFAOYSA-N
CanonicalSyTyLFy 173b4dcc33974473
TotalMolweight 242.469
Molecular Weight 242.469
MonoisotopicMass 242.094704
CLogP 3.5712
CLogS -0.93
TotalSurfaceArea 196.92
Drug-likeness -44.938
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.625
Molecula Flexibility 0.5542
Molecular Complexity 0.58491
Fragments 1
Non HAtoms 16
NonCHAtoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 10

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