(2,4-Dimethylpenta-1,3-dien-1-yl)(trimethyl)stannane

CAS Number: 817642-35-6
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CC(C)=CC(C)=C[Sn](C)(C)C
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: low
Formula
C10H20Sn
Molecular Weight
258.979
Drug-likeness
-6.5318
CAS
817642-35-6
InChI key
WRQDKHBXHDAWMI-UHFFFAOYSA-N
SMILES
CC(C)=CC(C)=C[Sn](C)(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 817642-35-6
Molecule Name (2,4-Dimethylpenta-1,3-dien-1-yl)(trimethyl)stannane
Molecular Formula C10H20Sn
SMILES CC(C)=CC(C)=C[Sn](C)(C)C
InChI InChI=1S/C7H11.3CH3.Sn/c1-6(2)5-7(3)4;;;;/h1,5H,2-4H3;3*1H3;
InChI Key WRQDKHBXHDAWMI-UHFFFAOYSA-N
CanonicalSyTyLFy 3298022f59d28f38
TotalMolweight 258.979
Molecular Weight 258.979
MonoisotopicMass 260.0587
CLogP 4.7764
CLogS -2.043
TotalSurfaceArea 149.98
Drug-likeness -6.5318
Mutagenic high
Tumorigenic none
Reproductive Effective low
Irritant low
Nasty Functions unwanted atom
Shape Index 0.63636
Molecula Flexibility 0.57995
Molecular Complexity 0.47958
Fragments 1
Non HAtoms 11
NonCHAtoms 1
Metal Atoms 1
Rotatable Bond 2
Sp3Atoms 6
Symmetricatoms 3

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