2-chloroethyl-methoxy-dipropylsilane

C9H21ClOSi — CID 171486072

IUPAC2-chloroethyl-methoxy-dipropylsilane
SMILESCCC[Si](CCC)(CCCl)OC
InChIInChI=1S/C9H21ClOSi/c1-4-7-12(11-3,8-5-2)9-6-10/h4-9H2,1-3H3
InChIKeyJUEZASXHWYFIAQ-UHFFFAOYSA-N
MW208.80 g/mol
LogP3.64
Rot. Bonds7

About 2-chloroethyl-methoxy-dipropylsilane

2-chloroethyl-methoxy-dipropylsilane (PubChem CID 171486072) has the molecular formula C9H21ClOSi and a molecular weight of 208.80 g/mol. Its IUPAC name is 2-chloroethyl-methoxy-dipropylsilane.

Molecular Properties

Compound Name2-chloroethyl-methoxy-dipropylsilane
PubChem CID171486072
Molecular FormulaC9H21ClOSi
Molecular Weight208.80 g/mol
Exact Mass208.11
IUPAC Name2-chloroethyl-methoxy-dipropylsilane
SMILESCCC[Si](CCC)(CCCl)OC
InChIInChI=1S/C9H21ClOSi/c1-4-7-12(11-3,8-5-2)9-6-10/h4-9H2,1-3H3
InChIKeyJUEZASXHWYFIAQ-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.80
LogP ≤ 53.64
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-methoxy-dipropylsilane?
The IUPAC name of 2-chloroethyl-methoxy-dipropylsilane (CID 171486072) is 2-chloroethyl-methoxy-dipropylsilane.
What is the SMILES notation for 2-chloroethyl-methoxy-dipropylsilane?
The canonical SMILES for 2-chloroethyl-methoxy-dipropylsilane is CCC[Si](CCC)(CCCl)OC.
What is the InChIKey of 2-chloroethyl-methoxy-dipropylsilane?
The InChIKey is JUEZASXHWYFIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClOSi/c1-4-7-12(11-3,8-5-2)9-6-10/h4-9H2,1-3H3.
What are the key properties of 2-chloroethyl-methoxy-dipropylsilane?
2-chloroethyl-methoxy-dipropylsilane has a molecular weight of 208.80 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-methoxy-dipropylsilane is sourced from PubChem (CID 171486072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).