1-chloroethoxy-diethoxy-propylsilane

C9H21ClO3Si — CID 87125618

IUPAC1-chloroethoxy-diethoxy-propylsilane
SMILESCCC[Si](OCC)(OCC)OC(C)Cl
InChIInChI=1S/C9H21ClO3Si/c1-5-8-14(11-6-2,12-7-3)13-9(4)10/h9H,5-8H2,1-4H3
InChIKeyXSMURGJOAJVSKQ-UHFFFAOYSA-N
MW240.80 g/mol
LogP3.01
Rot. Bonds8

About 1-chloroethoxy-diethoxy-propylsilane

1-chloroethoxy-diethoxy-propylsilane (PubChem CID 87125618) has the molecular formula C9H21ClO3Si and a molecular weight of 240.80 g/mol. Its IUPAC name is 1-chloroethoxy-diethoxy-propylsilane.

Molecular Properties

Compound Name1-chloroethoxy-diethoxy-propylsilane
PubChem CID87125618
Molecular FormulaC9H21ClO3Si
Molecular Weight240.80 g/mol
Exact Mass240.09
IUPAC Name1-chloroethoxy-diethoxy-propylsilane
SMILESCCC[Si](OCC)(OCC)OC(C)Cl
InChIInChI=1S/C9H21ClO3Si/c1-5-8-14(11-6-2,12-7-3)13-9(4)10/h9H,5-8H2,1-4H3
InChIKeyXSMURGJOAJVSKQ-UHFFFAOYSA-N
XLogP3.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.80
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-chloroethoxy-diethoxy-propylsilane?
The IUPAC name of 1-chloroethoxy-diethoxy-propylsilane (CID 87125618) is 1-chloroethoxy-diethoxy-propylsilane.
What is the SMILES notation for 1-chloroethoxy-diethoxy-propylsilane?
The canonical SMILES for 1-chloroethoxy-diethoxy-propylsilane is CCC[Si](OCC)(OCC)OC(C)Cl.
What is the InChIKey of 1-chloroethoxy-diethoxy-propylsilane?
The InChIKey is XSMURGJOAJVSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO3Si/c1-5-8-14(11-6-2,12-7-3)13-9(4)10/h9H,5-8H2,1-4H3.
What are the key properties of 1-chloroethoxy-diethoxy-propylsilane?
1-chloroethoxy-diethoxy-propylsilane has a molecular weight of 240.80 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethoxy-diethoxy-propylsilane is sourced from PubChem (CID 87125618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).