(2R)-2-(Prop-2-en-1-yl)oxane

CAS Number: 673478-36-9
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C=CC[C@@H]1OCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H14O
Molecular Weight
126.198
Drug-likeness
-9.4475
CAS
673478-36-9
InChI key
SJLROWLNDRDYCL-QMMMGPOBSA-N
SMILES
C=CC[C@@H]1OCCCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 673478-36-9
Molecule Name (2R)-2-(Prop-2-en-1-yl)oxane
Molecular Formula C8H14O
SMILES C=CC[C@@H]1OCCCC1
InChI InChI=1S/C8H14O/c1-2-5-8-6-3-4-7-9-8/h2,8H,1,3-7H2/t8-/m0/s1
InChI Key SJLROWLNDRDYCL-QMMMGPOBSA-N
CanonicalSyTyLFy c84ccc5eaf1b080e
TotalMolweight 126.198
Molecular Weight 126.198
MonoisotopicMass 126.104465
CLogP 1.936
CLogS -2.118
H Acceptors 1
TotalSurfaceArea 115.84
Relative PSA 0.086326
PolarSurfaceArea 9.23
Drug-likeness -9.4475
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.77778
Molecula Flexibility 0.48849
Molecular Complexity 0.62123
Fragments 1
Non HAtoms 9
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 7
StereoCon this enantiomer

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