(+)-trans-p-Menth-2-ene

CAS Number: 5113-93-9
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CC(C)[C@H]1C=C[C@H](C)CC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H18
Molecular Weight
138.253
Drug-likeness
-6.0235
CAS
5113-93-9
InChI key
WHNGPXQYYRWQAS-UWVGGRQHSA-N
SMILES
CC(C)[C@H]1C=C[C@H](C)CC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 5113-93-9
Molecule Name (+)-trans-p-Menth-2-ene
Molecular Formula C10H18
SMILES CC(C)[C@H]1C=C[C@H](C)CC1
InChI InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8-10H,5,7H2,1-3H3/t9-,10-/m0/s1
InChI Key WHNGPXQYYRWQAS-UWVGGRQHSA-N
CanonicalSyTyLFy 283f7d2959763842
TotalMolweight 138.253
Molecular Weight 138.253
MonoisotopicMass 138.14085
CLogP 2.9879
CLogS -2.672
TotalSurfaceArea 128.3
Drug-likeness -6.0235
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.43503
Molecular Complexity 0.55452
Fragments 1
Non HAtoms 10
StereoCenters 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 1
StereoCon this enantiomer

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