Iodomanganese(1+) 4-methylpent-3-en-1-ide

CAS Number: 62485-96-5
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[CH2-]CC=C(C)C.[Mn+]I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
IMn.C6H11
Molecular Weight
83.1533
Drug-likeness
-2.3905
CAS
62485-96-5
InChI key
DFWWVNLDPZOKMO-UHFFFAOYSA-M
SMILES
[CH2-]CC=C(C)C.[Mn+]I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62485-96-5
Molecule Name Iodomanganese(1+) 4-methylpent-3-en-1-ide
Molecular Formula IMn.C6H11
SMILES [CH2-]CC=C(C)C.[Mn+]I
InChI InChI=1S/C6H11.HI.Mn/c1-4-5-6(2)3;;/h5H,1,4H2,2-3H3;1H;/q-1;;+2/p-1
InChI Key DFWWVNLDPZOKMO-UHFFFAOYSA-M
CanonicalSyTyLFy 61647c23fe7c38
TotalMolweight 264.991
Molecular Weight 83.1533
MonoisotopicMass 83.086075
CLogP 2.206
CLogS -1.69
TotalSurfaceArea 69.74
Drug-likeness -2.3905
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.83333
Molecula Flexibility 0.29716
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 6
Rotatable Bond 1
Sp3Atoms 4
Symmetricatoms 1

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