(1,3,5-Trisilinane-1,3,5-triylidene)tris(trimethyl-lambda~5~-phosphane)

CAS Number: 63246-14-0
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CP(C)(C)=[Si](C[Si](C1)=P(C)(C)C)C[Si]1=P(C)(C)C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C12H33P3Si3
Molecular Weight
354.574
Drug-likeness
-24.898
CAS
63246-14-0
InChI key
JPGISGBVMIATGQ-UHFFFAOYSA-N
SMILES
CP(C)(C)=[Si](C[Si](C1)=P(C)(C)C)C[Si]1=P(C)(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 63246-14-0
Molecule Name (1,3,5-Trisilinane-1,3,5-triylidene)tris(trimethyl-lambda~5~-phosphane)
Molecular Formula C12H33P3Si3
SMILES CP(C)(C)=[Si](C[Si](C1)=P(C)(C)C)C[Si]1=P(C)(C)C
InChI InChI=1S/C12H33P3Si3/c1-13(2,3)16-10-17(14(4,5)6)12-18(11-16)15(7,8)9/h10-12H2,1-9H3
InChI Key JPGISGBVMIATGQ-UHFFFAOYSA-N
CanonicalSyTyLFy 5214f90c1cfe406a
TotalMolweight 354.574
Molecular Weight 354.574
MonoisotopicMass 354.110292
CLogP 1.2555
CLogS -4.418
TotalSurfaceArea 224.31
Relative PSA 0.05323
PolarSurfaceArea 29.43
Drug-likeness -24.898
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.38889
Molecula Flexibility 0.25293
Molecular Complexity 0.68393
Fragments 1
Non HAtoms 18
NonCHAtoms 6
Electronegative Atoms 3
Rings Closures 1
Small Rings 1
Sp3Atoms 15
Symmetricatoms 14

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