(2-Carbethoxyethyl)triethoxysilane

CAS Number: 6439-39-0
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CCOC(CC[Si](OCC)(OCC)OCC)=O
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: high
Formula
C11H24O5Si
Molecular Weight
264.393
Drug-likeness
-81.739
CAS
6439-39-0
InChI key
FSTSIHBJBSLSQV-UHFFFAOYSA-N
SMILES
CCOC(CC[Si](OCC)(OCC)OCC)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 6439-39-0
Molecule Name (2-Carbethoxyethyl)triethoxysilane
Molecular Formula C11H24O5Si
SMILES CCOC(CC[Si](OCC)(OCC)OCC)=O
InChI InChI=1S/C11H24O5Si/c1-5-13-11(12)9-10-17(14-6-2,15-7-3)16-8-4/h5-10H2,1-4H3
InChI Key FSTSIHBJBSLSQV-UHFFFAOYSA-N
CanonicalSyTyLFy 4307c12d9d16e216
TotalMolweight 264.393
Molecular Weight 264.393
MonoisotopicMass 264.139302
CLogP 1.3368
CLogS -2.023
H Acceptors 5
TotalSurfaceArea 216.35
Relative PSA 0.24516
PolarSurfaceArea 53.99
Drug-likeness -81.739
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant high
Shape Index 0.58824
Molecula Flexibility 0.79698
Molecular Complexity 0.5406
Fragments 1
Non HAtoms 17
NonCHAtoms 6
Electronegative Atoms 5
Rotatable Bond 11
Sp3Atoms 14
Symmetricatoms 6

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