(1R,2S)-1-Methoxy-2-methylcyclopropane

CAS Number: 36024-54-1
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C[C@@H](C1)[C@@H]1OC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H10O
Molecular Weight
86.1334
Drug-likeness
-0.17222
CAS
36024-54-1
InChI key
FWTJMAAEPVDMQP-RFZPGFLSSA-N
SMILES
C[C@@H](C1)[C@@H]1OC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 36024-54-1
Molecule Name (1R,2S)-1-Methoxy-2-methylcyclopropane
Molecular Formula C5H10O
SMILES C[C@@H](C1)[C@@H]1OC
InChI InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChI Key FWTJMAAEPVDMQP-RFZPGFLSSA-N
CanonicalSyTyLFy 772cb25c37a0f7a8
TotalMolweight 86.1334
Molecular Weight 86.1334
MonoisotopicMass 86.073165
CLogP 0.8711
CLogS -1.229
H Acceptors 1
TotalSurfaceArea 73.28
Relative PSA 0.13646
PolarSurfaceArea 9.23
Drug-likeness -0.17222
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.83333
Molecula Flexibility 0.50649
Molecular Complexity 0.64864
Fragments 1
Non HAtoms 6
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 6
StereoCon this enantiomer

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