Cyclohexanone, 3-(tributylstannyl)-

Formula:C18H36OSn CAS:63831-51-6 ChemrytIQ

PropertyValue
Casrn63831-51-6
MolNameCyclohexanone, 3-(tributylstannyl)-
MolecularFormulaC18H36OSn
SmilesCCCC[Sn](CCCC)(CCCC)C(CCC1)CC1=O
InChIInChI=1S/C6H9O.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h2H,1,3-5H2;3*1,3-4H2,2H3;
InChIKTUGIUFUWQJLGCJ-UHFFFAOYSA-N
CanonicalSyTyLFy770687c52722bff6
TotalMolweight387.193
Molweight387.193
MonoisotopicMass388.178815
CLogP6.5729
CLogS-10.595
H Acceptors1
TotalSurfaceArea259.41
Relative PSA0.050268
PolarSurfaceArea17.07
Druglikeness-9.9597
Mutagenichigh
Tumorigenicnone
Reproductive Effectivelow
Irritantlow
Nasty Functionsunwanted atom
Shape Index0.45
Molecula Flexibility0.71784
Molecular Complexity0.55002
Fragments1
Non HAtoms20
NonCHAtoms2
Metal Atoms1
Electronegative Atoms1
StereoCenters1
Rotatable Bond10
Rings Closures1
Small Rings1
Sp3Atoms17
Symmetricatoms8
StereoConracemate
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-46-9nonenonenoneC7H9N107.155-2.0712 ChemrytIQ
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