diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane

C17H36O4Si — CID 22012739

IUPACdiethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane
SMILESCCCOC(CC)(C1(CC)COC1)[Si](CC)(OCC)OCC
InChIInChI=1S/C17H36O4Si/c1-7-13-19-17(9-3,16(8-2)14-18-15-16)22(12-6,20-10-4)21-11-5/h7-15H2,1-6H3
InChIKeyGZVVZLRIGNLVST-UHFFFAOYSA-N
MW332.56 g/mol
LogP4.06
Rot. Bonds12

About diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane

diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane (PubChem CID 22012739) has the molecular formula C17H36O4Si and a molecular weight of 332.56 g/mol. Its IUPAC name is diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane.

Molecular Properties

Compound Namediethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane
PubChem CID22012739
Molecular FormulaC17H36O4Si
Molecular Weight332.56 g/mol
Exact Mass332.24
IUPAC Namediethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane
SMILESCCCOC(CC)(C1(CC)COC1)[Si](CC)(OCC)OCC
InChIInChI=1S/C17H36O4Si/c1-7-13-19-17(9-3,16(8-2)14-18-15-16)22(12-6,20-10-4)21-11-5/h7-15H2,1-6H3
InChIKeyGZVVZLRIGNLVST-UHFFFAOYSA-N
XLogP4.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane?
The IUPAC name of diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane (CID 22012739) is diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane.
What is the SMILES notation for diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane?
The canonical SMILES for diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane is CCCOC(CC)(C1(CC)COC1)[Si](CC)(OCC)OCC.
What is the InChIKey of diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane?
The InChIKey is GZVVZLRIGNLVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si/c1-7-13-19-17(9-3,16(8-2)14-18-15-16)22(12-6,20-10-4)21-11-5/h7-15H2,1-6H3.
What are the key properties of diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane?
diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane has a molecular weight of 332.56 g/mol, XLogP of 4.06, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-ethyl-[1-(3-ethyloxetan-3-yl)-1-propoxypropyl]silane is sourced from PubChem (CID 22012739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).