2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane

C7H12Cl6OSi — CID 19689012

IUPAC2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane
SMILESC[Si](C)(C)OCC(Cl)(Cl)C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C7H12Cl6OSi/c1-15(2,3)14-4-6(10,11)7(12,13)5(8)9/h5H,4H2,1-3H3
InChIKeyNISISBKMKOWPIS-UHFFFAOYSA-N
MW352.98 g/mol
LogP4.99
Rot. Bonds5

About 2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane

2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane (PubChem CID 19689012) has the molecular formula C7H12Cl6OSi and a molecular weight of 352.98 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane.

Molecular Properties

Compound Name2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane
PubChem CID19689012
Molecular FormulaC7H12Cl6OSi
Molecular Weight352.98 g/mol
Exact Mass349.88
IUPAC Name2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane
SMILESC[Si](C)(C)OCC(Cl)(Cl)C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C7H12Cl6OSi/c1-15(2,3)14-4-6(10,11)7(12,13)5(8)9/h5H,4H2,1-3H3
InChIKeyNISISBKMKOWPIS-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.98
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane?
The IUPAC name of 2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane (CID 19689012) is 2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane.
What is the SMILES notation for 2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane?
The canonical SMILES for 2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane is C[Si](C)(C)OCC(Cl)(Cl)C(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of 2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane?
The InChIKey is NISISBKMKOWPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl6OSi/c1-15(2,3)14-4-6(10,11)7(12,13)5(8)9/h5H,4H2,1-3H3.
What are the key properties of 2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane?
2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane has a molecular weight of 352.98 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexachlorobutoxy(trimethyl)silane is sourced from PubChem (CID 19689012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).