(1S)-1-(Trimethylsilyl)ethan-1-ol

CAS Number: 484674-47-7
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C[C@@H](O)[Si](C)(C)C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C5H14OSi
Molecular Weight
118.251
Drug-likeness
-50.575
CAS
484674-47-7
InChI key
ZLTWIJREHQCJJL-YFKPBYRVSA-N
SMILES
C[C@@H](O)[Si](C)(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 484674-47-7
Molecule Name (1S)-1-(Trimethylsilyl)ethan-1-ol
Molecular Formula C5H14OSi
SMILES C[C@@H](O)[Si](C)(C)C
InChI InChI=1S/C5H14OSi/c1-5(6)7(2,3)4/h5-6H,1-4H3/t5-/m0/s1
InChI Key ZLTWIJREHQCJJL-YFKPBYRVSA-N
CanonicalSyTyLFy 988bfeb1233416c4
TotalMolweight 118.251
Molecular Weight 118.251
MonoisotopicMass 118.081392
CLogP 2.5038
CLogS -1.221
H Acceptors 1
H Donors 1
TotalSurfaceArea 94.89
Relative PSA 0.13805
PolarSurfaceArea 20.23
Drug-likeness -50.575
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.57143
Molecula Flexibility 0.7159
Molecular Complexity 0.53648
Fragments 1
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 1
Sp3Atoms 6
Symmetricatoms 2
StereoCon this enantiomer

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