(2-Ethoxy-2-methylpropyl)cyclopropane

CAS Number: 62456-19-3
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CCOC(C)(C)CC1CC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C9H18O
Molecular Weight
142.241
Drug-likeness
-8.5775
CAS
62456-19-3
InChI key
LKEZXKMHXZYDAN-UHFFFAOYSA-N
SMILES
CCOC(C)(C)CC1CC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 62456-19-3
Molecule Name (2-Ethoxy-2-methylpropyl)cyclopropane
Molecular Formula C9H18O
SMILES CCOC(C)(C)CC1CC1
InChI InChI=1S/C9H18O/c1-4-10-9(2,3)7-8-5-6-8/h8H,4-7H2,1-3H3
InChI Key LKEZXKMHXZYDAN-UHFFFAOYSA-N
CanonicalSyTyLFy 4fc49e57ab244f98
TotalMolweight 142.241
Molecular Weight 142.241
MonoisotopicMass 142.135765
CLogP 2.3971
CLogS -2.178
H Acceptors 1
TotalSurfaceArea 124.73
Relative PSA 0.080173
PolarSurfaceArea 9.23
Drug-likeness -8.5775
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.7
Molecula Flexibility 0.71046
Molecular Complexity 0.51299
Fragments 1
Non HAtoms 10
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 4
Rings Closures 1
Small Rings 1
Sp3Atoms 10
Symmetricatoms 2

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