(2-Ethyl-1-phenylhex-1-en-1-yl)(trimethyl)silane

CAS Number: 108682-38-8
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CCCCC(CC)=C(c1ccccc1)[Si](C)(C)C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C17H28Si
Molecular Weight
260.495
Drug-likeness
-51.743
CAS
108682-38-8
InChI key
GPDVEHTTWZUZPW-UHFFFAOYSA-N
SMILES
CCCCC(CC)=C(c1ccccc1)[Si](C)(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 108682-38-8
Molecule Name (2-Ethyl-1-phenylhex-1-en-1-yl)(trimethyl)silane
Molecular Formula C17H28Si
SMILES CCCCC(CC)=C(c1ccccc1)[Si](C)(C)C
InChI InChI=1S/C17H28Si/c1-6-8-12-15(7-2)17(18(3,4)5)16-13-10-9-11-14-16/h9-11,13-14H,6-8,12H2,1-5H3
InChI Key GPDVEHTTWZUZPW-UHFFFAOYSA-N
CanonicalSyTyLFy 21ceb7dbd93a6e7
TotalMolweight 260.495
Molecular Weight 260.495
MonoisotopicMass 260.196027
CLogP 6.8234
CLogS -4.909
TotalSurfaceArea 226.02
Drug-likeness -51.743
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant high
Shape Index 0.55556
Molecula Flexibility 0.58075
Molecular Complexity 0.60487
Fragments 1
Non HAtoms 18
NonCHAtoms 1
Rotatable Bond 6
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 9
Symmetricatoms 4

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