(2-Hexyl-1-iododeca-1,3-dien-1-yl)(trimethyl)silane

CAS Number: 565435-41-8
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CCCCCCC=CC(CCCCCC)=C([Si](C)(C)C)I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C19H37ISi
Molecular Weight
420.489
Drug-likeness
-65.318
CAS
565435-41-8
InChI key
REDSIWAHRIBLDX-UHFFFAOYSA-N
SMILES
CCCCCCC=CC(CCCCCC)=C([Si](C)(C)C)I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 565435-41-8
Molecule Name (2-Hexyl-1-iododeca-1,3-dien-1-yl)(trimethyl)silane
Molecular Formula C19H37ISi
SMILES CCCCCCC=CC(CCCCCC)=C([Si](C)(C)C)I
InChI InChI=1S/C19H37ISi/c1-6-8-10-12-13-15-17-18(16-14-11-9-7-2)19(20)21(3,4)5/h15,17H,6-14,16H2,1-5H3
InChI Key REDSIWAHRIBLDX-UHFFFAOYSA-N
CanonicalSyTyLFy 3afa32280dcdc940
TotalMolweight 420.489
Molecular Weight 420.489
MonoisotopicMass 420.170925
CLogP 9.6674
CLogS -4.533
TotalSurfaceArea 301.6
Drug-likeness -65.318
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.71429
Molecula Flexibility 0.54334
Molecular Complexity 0.56446
Fragments 1
Non HAtoms 21
NonCHAtoms 2
Electronegative Atoms 1
Rotatable Bond 12
Sp3Atoms 15
Symmetricatoms 2

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