trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane

C11H14Cl4O2Si2 — CID 164816052

IUPACtrichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane
SMILESC[Si]1(CCl)OCc2cc(CC[Si](Cl)(Cl)Cl)ccc2O1
InChIInChI=1S/C11H14Cl4O2Si2/c1-18(8-12)16-7-10-6-9(2-3-11(10)17-18)4-5-19(13,14)15/h2-3,6H,4-5,7-8H2,1H3
InChIKeyZLDXOYYVYKDDIL-UHFFFAOYSA-N
MW376.22 g/mol
LogP4.64
Rot. Bonds4

About trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane

trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane (PubChem CID 164816052) has the molecular formula C11H14Cl4O2Si2 and a molecular weight of 376.22 g/mol. Its IUPAC name is trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane.

Molecular Properties

Compound Nametrichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane
PubChem CID164816052
Molecular FormulaC11H14Cl4O2Si2
Molecular Weight376.22 g/mol
Exact Mass373.93
IUPAC Nametrichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane
SMILESC[Si]1(CCl)OCc2cc(CC[Si](Cl)(Cl)Cl)ccc2O1
InChIInChI=1S/C11H14Cl4O2Si2/c1-18(8-12)16-7-10-6-9(2-3-11(10)17-18)4-5-19(13,14)15/h2-3,6H,4-5,7-8H2,1H3
InChIKeyZLDXOYYVYKDDIL-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

triethoxy-[2-(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silane
CID 164960790
trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane
CID 164816092
[diacetyloxy-[2-[[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]oxy]ethyl]silyl] acetate
CID 164815704
N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine
CID 164815656
[diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate
CID 164816174
3-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)propyl-triethoxysilane
CID 164816168
trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane
CID 164815662
[diacetyloxy-[2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl]silyl] acetate;[diacetyloxy-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silyl] acetate;2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl-triethoxysilane;2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl-trimethoxysilane;trichloro-[2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane;trichloro-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane;triethoxy-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane;trimethoxy-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane
CID 165031551
5-(2-chloroethyl)-1,3-benzodioxole
CID 15815969
trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane
CID 164816198
3-propyl-6,11-dihydrobenzo[c][1,6]benzodioxocine
CID 123726273
3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate
CID 164816291

Frequently Asked Questions

What is the IUPAC name of trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane?
The IUPAC name of trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane (CID 164816052) is trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane.
What is the SMILES notation for trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane?
The canonical SMILES for trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane is C[Si]1(CCl)OCc2cc(CC[Si](Cl)(Cl)Cl)ccc2O1.
What is the InChIKey of trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane?
The InChIKey is ZLDXOYYVYKDDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl4O2Si2/c1-18(8-12)16-7-10-6-9(2-3-11(10)17-18)4-5-19(13,14)15/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane?
trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane has a molecular weight of 376.22 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane is sourced from PubChem (CID 164816052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).