2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane

C8H18Cl4OSi2 — CID 87306923

IUPAC2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane
SMILESC[Si](CCl)(CCCl)O[Si](C)(CCl)CCCl
InChIInChI=1S/C8H18Cl4OSi2/c1-14(7-11,5-3-9)13-15(2,8-12)6-4-10/h3-8H2,1-2H3
InChIKeyBBSCOQBEEDCWAT-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.19
Rot. Bonds8

About 2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane

2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane (PubChem CID 87306923) has the molecular formula C8H18Cl4OSi2 and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane.

Molecular Properties

Compound Name2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane
PubChem CID87306923
Molecular FormulaC8H18Cl4OSi2
Molecular Weight328.22 g/mol
Exact Mass325.97
IUPAC Name2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane
SMILESC[Si](CCl)(CCCl)O[Si](C)(CCl)CCCl
InChIInChI=1S/C8H18Cl4OSi2/c1-14(7-11,5-3-9)13-15(2,8-12)6-4-10/h3-8H2,1-2H3
InChIKeyBBSCOQBEEDCWAT-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.19
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-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane?
The IUPAC name of 2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane (CID 87306923) is 2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane.
What is the SMILES notation for 2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane?
The canonical SMILES for 2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane is C[Si](CCl)(CCCl)O[Si](C)(CCl)CCCl.
What is the InChIKey of 2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane?
The InChIKey is BBSCOQBEEDCWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Cl4OSi2/c1-14(7-11,5-3-9)13-15(2,8-12)6-4-10/h3-8H2,1-2H3.
What are the key properties of 2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane?
2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane has a molecular weight of 328.22 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-[2-chloroethyl-(chloromethyl)-methylsilyl]oxy-(chloromethyl)-methylsilane is sourced from PubChem (CID 87306923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).