(1S,2S)-2-(2-Hydroxyethyl)cyclopentan-1-ol

CAS Number: 62324-21-4
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OCC[C@H](CCC1)[C@H]1O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H14O2
Molecular Weight
130.186
Drug-likeness
-4.8325
CAS
62324-21-4
InChI key
GXCPYUDYGSGMCJ-BQBZGAKWSA-N
SMILES
OCC[C@H](CCC1)[C@H]1O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62324-21-4
Molecule Name (1S,2S)-2-(2-Hydroxyethyl)cyclopentan-1-ol
Molecular Formula C7H14O2
SMILES OCC[C@H](CCC1)[C@H]1O
InChI InChI=1S/C7H14O2/c8-5-4-6-2-1-3-7(6)9/h6-9H,1-5H2/t6-,7-/m0/s1
InChI Key GXCPYUDYGSGMCJ-BQBZGAKWSA-N
CanonicalSyTyLFy 19c90c61b78f631
TotalMolweight 130.186
Molecular Weight 130.186
MonoisotopicMass 130.09938
CLogP 0.6549
CLogS -1.404
H Acceptors 2
H Donors 2
TotalSurfaceArea 106.5
Relative PSA 0.24601
PolarSurfaceArea 40.46
Drug-likeness -4.8325
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.4805
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 9
StereoCon this enantiomer

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