(2-Butylcyclohexyl)(diethyl)stannyl

CAS Number: 55125-14-9
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CCCCC(CCCC1)C1[Sn](CC)CC
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: low
Formula
C14H29Sn
Molecular Weight
316.094
Drug-likeness
-13.079
CAS
55125-14-9
InChI key
KOQXOFZOBPYULB-UHFFFAOYSA-N
SMILES
CCCCC(CCCC1)C1[Sn](CC)CC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 55125-14-9
Molecule Name (2-Butylcyclohexyl)(diethyl)stannyl
Molecular Formula C14H29Sn
SMILES CCCCC(CCCC1)C1[Sn](CC)CC
InChI InChI=1S/C10H19.2C2H5.Sn/c1-2-3-7-10-8-5-4-6-9-10;2*1-2;/h8,10H,2-7,9H2,1H3;2*1H2,2H3;
InChI Key KOQXOFZOBPYULB-UHFFFAOYSA-N
CanonicalSyTyLFy dad4a07759df588b
TotalMolweight 316.094
Molecular Weight 316.094
MonoisotopicMass 317.129125
CLogP 5.2391
CLogS -7.812
TotalSurfaceArea 192.37
Drug-likeness -13.079
Mutagenic high
Tumorigenic none
Reproductive Effective low
Irritant low
Nasty Functions unwanted atom
Shape Index 0.6
Molecula Flexibility 0.61861
Molecular Complexity 0.54695
Fragments 1
Non HAtoms 15
NonCHAtoms 1
Metal Atoms 1
StereoCenters 2
Rotatable Bond 6
Rings Closures 1
Small Rings 1
Sp3Atoms 14
Symmetricatoms 2
StereoCon unknown chirality

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