(2,3-Dimethylbut-3-en-1-yl){2-[dimethyl(phenyl)silyl]phenyl}dimethylsilane

CAS Number: 61211-88-9
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CC(C[Si](C)(C)c(cccc1)c1[Si](C)(C)c1ccccc1)C(C)=C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C22H32Si2
Molecular Weight
352.668
Drug-likeness
-69.204
CAS
61211-88-9
InChI key
VDEALDPSQCPJHI-IBGZPJMESA-N
SMILES
CC(C[Si](C)(C)c(cccc1)c1[Si](C)(C)c1ccccc1)C(C)=C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 61211-88-9
Molecule Name (2,3-Dimethylbut-3-en-1-yl){2-[dimethyl(phenyl)silyl]phenyl}dimethylsilane
Molecular Formula C22H32Si2
SMILES CC(C[Si](C)(C)c(cccc1)c1[Si](C)(C)c1ccccc1)C(C)=C
InChI InChI=1S/C22H32Si2/c1-18(2)19(3)17-23(4,5)21-15-11-12-16-22(21)24(6,7)20-13-9-8-10-14-20/h8-16,19H,1,17H2,2-7H3/t19-/m0/s1
InChI Key VDEALDPSQCPJHI-IBGZPJMESA-N
CanonicalSyTyLFy 24341a40ac383ed3
TotalMolweight 352.668
Molecular Weight 352.668
MonoisotopicMass 352.204254
CLogP 7.7725
CLogS -6.163
TotalSurfaceArea 282.59
Drug-likeness -69.204
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant high
Shape Index 0.5
Molecula Flexibility 0.62785
Molecular Complexity 0.72049
Fragments 1
Non HAtoms 24
NonCHAtoms 2
StereoCenters 1
Rotatable Bond 6
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 8
Symmetricatoms 4
StereoCon racemate

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