(2,2-Dichloroethyl)(triethoxy)silane

CAS Number: 65749-68-0
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CCO[Si](CC(Cl)Cl)(OCC)OCC
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
C8H18O3Cl2Si
Molecular Weight
261.22
Drug-likeness
-68.948
CAS
65749-68-0
InChI key
FTRGBCYDEJTLGK-UHFFFAOYSA-N
SMILES
CCO[Si](CC(Cl)Cl)(OCC)OCC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 65749-68-0
Molecule Name (2,2-Dichloroethyl)(triethoxy)silane
Molecular Formula C8H18O3Cl2Si
SMILES CCO[Si](CC(Cl)Cl)(OCC)OCC
InChI InChI=1S/C8H18Cl2O3Si/c1-4-11-14(12-5-2,13-6-3)7-8(9)10/h8H,4-7H2,1-3H3
InChI Key FTRGBCYDEJTLGK-UHFFFAOYSA-N
CanonicalSyTyLFy a588b13af9d14d07
TotalMolweight 261.22
Molecular Weight 261.22
MonoisotopicMass 260.040226
CLogP 1.956
CLogS -2.548
H Acceptors 3
TotalSurfaceArea 192.16
Relative PSA 0.15612
PolarSurfaceArea 27.69
Drug-likeness -68.948
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant high
Shape Index 0.5
Molecula Flexibility 0.85126
Molecular Complexity 0.48173
Fragments 1
Non HAtoms 14
NonCHAtoms 6
Electronegative Atoms 5
Rotatable Bond 8
Sp3Atoms 11
Symmetricatoms 7

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