(2-Bromocyclohept-2-en-1-yl)(trimethyl)silane

CAS Number: 153898-39-6
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C[Si](C)(C)C1C(Br)=CCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C10H19BrSi
Molecular Weight
247.251
Drug-likeness
-58.163
CAS
153898-39-6
InChI key
XOVLUWJSOFXQTG-JTQLQIEISA-N
SMILES
C[Si](C)(C)C1C(Br)=CCCCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 153898-39-6
Molecule Name (2-Bromocyclohept-2-en-1-yl)(trimethyl)silane
Molecular Formula C10H19BrSi
SMILES C[Si](C)(C)C1C(Br)=CCCCC1
InChI InChI=1S/C10H19BrSi/c1-12(2,3)10-8-6-4-5-7-9(10)11/h7,10H,4-6,8H2,1-3H3/t10-/m0/s1
InChI Key XOVLUWJSOFXQTG-JTQLQIEISA-N
CanonicalSyTyLFy df3dbb77ea9e56f
TotalMolweight 247.251
Molecular Weight 247.251
MonoisotopicMass 246.043938
CLogP 4.417
CLogS -3.325
TotalSurfaceArea 161.16
Drug-likeness -58.163
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.5
Molecula Flexibility 0.46708
Molecular Complexity 0.61893
Fragments 1
Non HAtoms 12
NonCHAtoms 2
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 2
StereoCon racemate

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