butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane

C13H28O4Si — CID 90072067

IUPACbutoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane
SMILESCCCCO[Si](C)(CCCOC1CCO1)OCC
InChIInChI=1S/C13H28O4Si/c1-4-6-10-17-18(3,16-5-2)12-7-9-14-13-8-11-15-13/h13H,4-12H2,1-3H3
InChIKeyUASMXNAFFSCXDI-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.06
Rot. Bonds11

About butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane

butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane (PubChem CID 90072067) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane.

Molecular Properties

Compound Namebutoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane
PubChem CID90072067
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Namebutoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane
SMILESCCCCO[Si](C)(CCCOC1CCO1)OCC
InChIInChI=1S/C13H28O4Si/c1-4-6-10-17-18(3,16-5-2)12-7-9-14-13-8-11-15-13/h13H,4-12H2,1-3H3
InChIKeyUASMXNAFFSCXDI-UHFFFAOYSA-N
XLogP3.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane?
The IUPAC name of butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane (CID 90072067) is butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane.
What is the SMILES notation for butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane?
The canonical SMILES for butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane is CCCCO[Si](C)(CCCOC1CCO1)OCC.
What is the InChIKey of butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane?
The InChIKey is UASMXNAFFSCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-4-6-10-17-18(3,16-5-2)12-7-9-14-13-8-11-15-13/h13H,4-12H2,1-3H3.
What are the key properties of butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane?
butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane has a molecular weight of 276.45 g/mol, XLogP of 3.06, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-ethoxy-methyl-[3-(oxetan-2-yloxy)propyl]silane is sourced from PubChem (CID 90072067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).