(1,1,2-Trimethoxynonyl)silane

CAS Number: 109551-01-1
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CCCCCCCC(C(OC)(OC)[SiH3])OC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C12H28O3Si
Molecular Weight
248.437
Drug-likeness
-32.505
CAS
109551-01-1
InChI key
WAXCEHOEGHDYHU-NSHDSACASA-N
SMILES
CCCCCCCC(C(OC)(OC)[SiH3])OC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 109551-01-1
Molecule Name (1,1,2-Trimethoxynonyl)silane
Molecular Formula C12H28O3Si
SMILES CCCCCCCC(C(OC)(OC)[SiH3])OC
InChI InChI=1S/C12H28O3Si/c1-5-6-7-8-9-10-11(13-2)12(16,14-3)15-4/h11H,5-10H2,1-4,16H3/t11-/m0/s1
InChI Key WAXCEHOEGHDYHU-NSHDSACASA-N
CanonicalSyTyLFy d73fb9dc8fcdb8b2
TotalMolweight 248.437
Molecular Weight 248.437
MonoisotopicMass 248.180772
CLogP 3.7815
CLogS -2.42
H Acceptors 3
TotalSurfaceArea 191.26
Relative PSA 0.15685
PolarSurfaceArea 27.69
Drug-likeness -32.505
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.6875
Molecula Flexibility 0.65855
Molecular Complexity 0.5406
Fragments 1
Non HAtoms 16
NonCHAtoms 4
Electronegative Atoms 3
StereoCenters 1
Rotatable Bond 10
Sp3Atoms 15
Symmetricatoms 2
StereoCon racemate

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