(-)-Isomenthol

CAS Number: 20752-33-4
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CC(C)[C@H](CC[C@H](C)C1)[C@@H]1O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H20O
Molecular Weight
156.268
Drug-likeness
-10.47
CAS
20752-33-4
InChI key
NOOLISFMXDJSKH-KXUCPTDWSA-N
SMILES
CC(C)[C@H](CC[C@H](C)C1)[C@@H]1O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 20752-33-4
Molecule Name (-)-Isomenthol
Molecular Formula C10H20O
SMILES CC(C)[C@H](CC[C@H](C)C1)[C@@H]1O
InChI InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChI Key NOOLISFMXDJSKH-KXUCPTDWSA-N
CanonicalSyTyLFy e80bf72324c5ebbe
TotalMolweight 156.268
Molecular Weight 156.268
MonoisotopicMass 156.151415
CLogP 2.4112
CLogS -2.501
H Acceptors 1
H Donors 1
TotalSurfaceArea 134.41
Relative PSA 0.097463
PolarSurfaceArea 20.23
Drug-likeness -10.47
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.63636
Molecula Flexibility 0.37391
Molecular Complexity 0.66644
Fragments 1
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 11
Symmetricatoms 1
StereoCon this enantiomer

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