(2R)-2-Methoxypentan-1-ol

CAS Number: 867267-91-2
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CCC[C@H](CO)OC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
C6H14O2
Molecular Weight
118.175
Drug-likeness
-5.611
CAS
867267-91-2
InChI key
WGWLUEYOKURLOE-ZCFIWIBFSA-N
SMILES
CCC[C@H](CO)OC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 867267-91-2
Molecule Name (2R)-2-Methoxypentan-1-ol
Molecular Formula C6H14O2
SMILES CCC[C@H](CO)OC
InChI InChI=1S/C6H14O2/c1-3-4-6(5-7)8-2/h6-7H,3-5H2,1-2H3/t6-/m1/s1
InChI Key WGWLUEYOKURLOE-ZCFIWIBFSA-N
CanonicalSyTyLFy ded4482dc3f8a525
TotalMolweight 118.175
Molecular Weight 118.175
MonoisotopicMass 118.09938
CLogP 0.8198
CLogS -1.016
H Acceptors 2
H Donors 1
TotalSurfaceArea 108.15
Relative PSA 0.21359
PolarSurfaceArea 29.46
Drug-likeness -5.611
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant low
Shape Index 0.75
Molecula Flexibility 0.66089
Molecular Complexity 0.64864
Fragments 1
Non HAtoms 8
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 1
Rotatable Bond 4
Sp3Atoms 8
StereoCon this enantiomer

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