(2,3-Dimethylbut-2-en-1-yl)(triethyl)silane

CAS Number: 64545-12-6
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CC[Si](CC)(CC)CC(C)=C(C)C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C12H26Si
Molecular Weight
198.424
Drug-likeness
-37.309
CAS
64545-12-6
InChI key
JHUQRXBWTSGZSP-UHFFFAOYSA-N
SMILES
CC[Si](CC)(CC)CC(C)=C(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 64545-12-6
Molecule Name (2,3-Dimethylbut-2-en-1-yl)(triethyl)silane
Molecular Formula C12H26Si
SMILES CC[Si](CC)(CC)CC(C)=C(C)C
InChI InChI=1S/C12H26Si/c1-7-13(8-2,9-3)10-12(6)11(4)5/h7-10H2,1-6H3
InChI Key JHUQRXBWTSGZSP-UHFFFAOYSA-N
CanonicalSyTyLFy 8139d17e9a3ffc98
TotalMolweight 198.424
Molecular Weight 198.424
MonoisotopicMass 198.180377
CLogP 5.6626
CLogS -11.014
TotalSurfaceArea 178.52
Drug-likeness -37.309
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.53846
Molecula Flexibility 0.82568
Molecular Complexity 0.4722
Fragments 1
Non HAtoms 13
NonCHAtoms 1
Rotatable Bond 5
Sp3Atoms 10
Symmetricatoms 5

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