(1,1-Diethoxyhexyl)(methyl)silane

CAS Number: 2652-39-3
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CCCCCC(OCC)(OCC)[SiH2]C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C11H26O2Si
Molecular Weight
218.411
Drug-likeness
-38.449
CAS
2652-39-3
InChI key
AWIVNYZSYQDKGU-UHFFFAOYSA-N
SMILES
CCCCCC(OCC)(OCC)[SiH2]C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 2652-39-3
Molecule Name (1,1-Diethoxyhexyl)(methyl)silane
Molecular Formula C11H26O2Si
SMILES CCCCCC(OCC)(OCC)[SiH2]C
InChI InChI=1S/C11H26O2Si/c1-5-8-9-10-11(14-4,12-6-2)13-7-3/h5-10,14H2,1-4H3
InChI Key AWIVNYZSYQDKGU-UHFFFAOYSA-N
CanonicalSyTyLFy 9e4d18fee8ec8c6e
TotalMolweight 218.411
Molecular Weight 218.411
MonoisotopicMass 218.170207
CLogP 4.5215
CLogS -2.671
H Acceptors 2
TotalSurfaceArea 175.51
Relative PSA 0.11395
PolarSurfaceArea 18.46
Drug-likeness -38.449
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.64286
Molecula Flexibility 0.77096
Molecular Complexity 0.56122
Fragments 1
Non HAtoms 14
NonCHAtoms 3
Electronegative Atoms 2
Rotatable Bond 9
Sp3Atoms 13
Symmetricatoms 3

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