(2R,3S)-1,1,2,3-Tetramethylcyclopropane

CAS Number: 83860-20-2
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C[C@H]1C(C)(C)[C@H]1C
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: high
Formula
C7H14
Molecular Weight
98.1882
Drug-likeness
-4.2087
CAS
83860-20-2
InChI key
ZASOSNWAQIGWQT-OLQVQODUSA-N
SMILES
C[C@H]1C(C)(C)[C@H]1C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 83860-20-2
Molecule Name (2R,3S)-1,1,2,3-Tetramethylcyclopropane
Molecular Formula C7H14
SMILES C[C@H]1C(C)(C)[C@H]1C
InChI InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+
InChI Key ZASOSNWAQIGWQT-OLQVQODUSA-N
CanonicalSyTyLFy 518f5418317335a7
TotalMolweight 98.1882
Molecular Weight 98.1882
MonoisotopicMass 98.10955
CLogP 2.1654
CLogS -1.997
TotalSurfaceArea 84.45
Drug-likeness -4.2087
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant high
Shape Index 0.57143
Molecular Complexity 0.64864
Fragments 1
Non HAtoms 7
StereoCenters 2
Rings Closures 1
Small Rings 1
Sp3Atoms 7
Symmetricatoms 1
StereoCon meso

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