(2-Methylcyclohexa-2,5-diene-1,4-diyl)bis(trimethylsilane)

CAS Number: 18406-93-4
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CC(C(C=C1)[Si](C)(C)C)=CC1[Si](C)(C)C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C13H26Si2
Molecular Weight
238.521
Drug-likeness
-46.848
CAS
18406-93-4
InChI key
QOZWKQQNRNOUAR-UHFFFAOYSA-N
SMILES
CC(C(C=C1)[Si](C)(C)C)=CC1[Si](C)(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 18406-93-4
Molecule Name (2-Methylcyclohexa-2,5-diene-1,4-diyl)bis(trimethylsilane)
Molecular Formula C13H26Si2
SMILES CC(C(C=C1)[Si](C)(C)C)=CC1[Si](C)(C)C
InChI InChI=1S/C13H26Si2/c1-11-10-12(14(2,3)4)8-9-13(11)15(5,6)7/h8-10,12-13H,1-7H3
InChI Key QOZWKQQNRNOUAR-UHFFFAOYSA-N
CanonicalSyTyLFy e4ca7bf429876e0d
TotalMolweight 238.521
Molecular Weight 238.521
MonoisotopicMass 238.157304
CLogP 5.4376
CLogS -2.418
TotalSurfaceArea 189.03
Drug-likeness -46.848
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.53333
Molecula Flexibility 0.59196
Molecular Complexity 0.58959
Fragments 1
Non HAtoms 15
NonCHAtoms 2
StereoCenters 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 9
Symmetricatoms 4
StereoCon unknown chirality

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