Potassium 2-cyclohexylideneethan-1-ide

CAS Number: 62748-35-0
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[CH2-]C=C1CCCCC1.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C8H13
Molecular Weight
109.191
Drug-likeness
-6.2029
CAS
62748-35-0
InChI key
MANDETHDNQYBMD-UHFFFAOYSA-N
SMILES
[CH2-]C=C1CCCCC1.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 62748-35-0
Molecule Name Potassium 2-cyclohexylideneethan-1-ide
Molecular Formula K.C8H13
SMILES [CH2-]C=C1CCCCC1.[K+]
InChI InChI=1S/C8H13.K/c1-2-8-6-4-3-5-7-8;/h2H,1,3-7H2;/q-1;+1
InChI Key MANDETHDNQYBMD-UHFFFAOYSA-N
CanonicalSyTyLFy a95679bb2e394652
TotalMolweight 148.289
Molecular Weight 109.191
MonoisotopicMass 109.101725
CLogP 2.1942
CLogS -2.316
TotalSurfaceArea 86.76
Drug-likeness -6.2029
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant none
Shape Index 0.75
Molecula Flexibility 0.20426
Molecular Complexity 0.57565
Fragments 2
Non HAtoms 8
Rings Closures 1
Small Rings 1
Sp3Atoms 6
Symmetricatoms 2

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