(-)-p-Menth-1-ene

CAS Number: 499-94-5
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CC(C)[C@@H]1CC=C(C)CC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H18
Molecular Weight
138.253
Drug-likeness
-7.8071
CAS
499-94-5
InChI key
FAMJUFMHYAFYNU-JTQLQIEISA-N
SMILES
CC(C)[C@@H]1CC=C(C)CC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 499-94-5
Molecule Name (-)-p-Menth-1-ene
Molecular Formula C10H18
SMILES CC(C)[C@@H]1CC=C(C)CC1
InChI InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3/t10-/m0/s1
InChI Key FAMJUFMHYAFYNU-JTQLQIEISA-N
CanonicalSyTyLFy 6afaa403815eb7f2
TotalMolweight 138.253
Molecular Weight 138.253
MonoisotopicMass 138.14085
CLogP 3.1588
CLogS -2.636
TotalSurfaceArea 127.77
Drug-likeness -7.8071
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.40756
Molecular Complexity 0.57807
Fragments 1
Non HAtoms 10
StereoCenters 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 1
StereoCon this enantiomer

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