(2R)-2-Ethyl-1,1-dimethylcyclobutane

CAS Number: 61362-42-3
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CC[C@H]1C(C)(C)CC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H16
Molecular Weight
112.215
Drug-likeness
-2.4817
CAS
61362-42-3
InChI key
GKNNBFZYPNYURV-SSDOTTSWSA-N
SMILES
CC[C@H]1C(C)(C)CC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 61362-42-3
Molecule Name (2R)-2-Ethyl-1,1-dimethylcyclobutane
Molecular Formula C8H16
SMILES CC[C@H]1C(C)(C)CC1
InChI InChI=1S/C8H16/c1-4-7-5-6-8(7,2)3/h7H,4-6H2,1-3H3/t7-/m1/s1
InChI Key GKNNBFZYPNYURV-SSDOTTSWSA-N
CanonicalSyTyLFy f3d8513427c54476
TotalMolweight 112.215
Molecular Weight 112.215
MonoisotopicMass 112.1252
CLogP 2.6925
CLogS -2.377
TotalSurfaceArea 100.97
Drug-likeness -2.4817
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecula Flexibility 0.2573
Molecular Complexity 0.48648
Fragments 1
Non HAtoms 8
StereoCenters 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 1
StereoCon this enantiomer

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