Potassium octan-1-ide

CAS Number: 7570-53-8
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[CH2-]CCCCCCC.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C8H17
Molecular Weight
113.223
Drug-likeness
-17.528
CAS
7570-53-8
InChI key
YFSDPIVXXMWRLO-UHFFFAOYSA-N
SMILES
[CH2-]CCCCCCC.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 7570-53-8
Molecule Name Potassium octan-1-ide
Molecular Formula K.C8H17
SMILES [CH2-]CCCCCCC.[K+]
InChI InChI=1S/C8H17.K/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;/q-1;+1
InChI Key YFSDPIVXXMWRLO-UHFFFAOYSA-N
CanonicalSyTyLFy 4a34cf5fde94593e
TotalMolweight 152.321
Molecular Weight 113.223
MonoisotopicMass 113.133025
CLogP 3.215
CLogS -2.604
TotalSurfaceArea 101.57
Drug-likeness -17.528
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.54927
Molecular Complexity 0.3662
Fragments 2
Non HAtoms 8
Rotatable Bond 5
Sp3Atoms 8

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