(2R,5S)-1,1-Dimethyl-2,5-diphenylgermolane

CAS Number: 26436-21-5
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C[Ge](C)([C@H](CC1)c2ccccc2)[C@@H]1c1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C18H22Ge
Molecular Weight
310.983
Drug-likeness
-2.2894
CAS
26436-21-5
InChI key
BGCHQELTBPNWCT-HDICACEKSA-N
SMILES
C[Ge](C)([C@H](CC1)c2ccccc2)[C@@H]1c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 26436-21-5
Molecule Name (2R,5S)-1,1-Dimethyl-2,5-diphenylgermolane
Molecular Formula C18H22Ge
SMILES C[Ge](C)([C@H](CC1)c2ccccc2)[C@@H]1c1ccccc1
InChI InChI=1S/C18H22Ge/c1-19(2)17(15-9-5-3-6-10-15)13-14-18(19)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18+
InChI Key BGCHQELTBPNWCT-HDICACEKSA-N
CanonicalSyTyLFy b208f39a113d725e
TotalMolweight 310.983
Molecular Weight 310.983
MonoisotopicMass 312.093327
CLogP 5.0622
CLogS -5.894
TotalSurfaceArea 210.06
Drug-likeness -2.2894
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.57895
Molecula Flexibility 0.29699
Molecular Complexity 0.70285
Fragments 1
Non HAtoms 19
NonCHAtoms 1
StereoCenters 2
Rotatable Bond 2
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 6
Symmetricatoms 5
StereoCon meso

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