(1R,2S)-2-(Trimethylgermyl)cyclohexan-1-ol

CAS Number: 64871-10-9
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C[Ge](C)(C)[C@@H](CCCC1)[C@@H]1O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C9H20OGe
Molecular Weight
216.867
Drug-likeness
-5.2681
CAS
64871-10-9
InChI key
LXSIWWDCYLPEAH-DTWKUNHWSA-N
SMILES
C[Ge](C)(C)[C@@H](CCCC1)[C@@H]1O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 64871-10-9
Molecule Name (1R,2S)-2-(Trimethylgermyl)cyclohexan-1-ol
Molecular Formula C9H20OGe
SMILES C[Ge](C)(C)[C@@H](CCCC1)[C@@H]1O
InChI InChI=1S/C9H20GeO/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m0/s1
InChI Key LXSIWWDCYLPEAH-DTWKUNHWSA-N
CanonicalSyTyLFy c829053ffafaa88b
TotalMolweight 216.867
Molecular Weight 216.867
MonoisotopicMass 218.072592
CLogP 2.948
CLogS -2.051
H Acceptors 1
H Donors 1
TotalSurfaceArea 136.67
Relative PSA 0.095851
PolarSurfaceArea 20.23
Drug-likeness -5.2681
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.54545
Molecula Flexibility 0.52251
Molecular Complexity 0.65917
Fragments 1
Non HAtoms 11
NonCHAtoms 2
Electronegative Atoms 1
StereoCenters 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 10
Symmetricatoms 2
StereoCon this enantiomer

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