(2R,6S)-2,6-Dimethoxyoxane

CAS Number: 26243-73-2
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CO[C@@H](CCC1)O[C@@H]1OC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H14O3
Molecular Weight
146.185
Drug-likeness
-6.5581
CAS
26243-73-2
InChI key
DNLONCVMTWHJOV-KNVOCYPGSA-N
SMILES
CO[C@@H](CCC1)O[C@@H]1OC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 26243-73-2
Molecule Name (2R,6S)-2,6-Dimethoxyoxane
Molecular Formula C7H14O3
SMILES CO[C@@H](CCC1)O[C@@H]1OC
InChI InChI=1S/C7H14O3/c1-8-6-4-3-5-7(9-2)10-6/h6-7H,3-5H2,1-2H3/t6-,7+
InChI Key DNLONCVMTWHJOV-KNVOCYPGSA-N
CanonicalSyTyLFy 71dd8fb5ff5150a6
TotalMolweight 146.185
Molecular Weight 146.185
MonoisotopicMass 146.094295
CLogP 1.0428
CLogS -1.145
H Acceptors 3
TotalSurfaceArea 120.8
Relative PSA 0.24834
PolarSurfaceArea 27.69
Drug-likeness -6.5581
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.25932
Molecular Complexity 0.6089
Fragments 1
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 10
StereoCon meso

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