triethoxy(1-propoxybutyl)silane

C13H30O4Si — CID 174856120

IUPACtriethoxy(1-propoxybutyl)silane
SMILESCCCOC(CCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H30O4Si/c1-6-11-13(14-12-7-2)18(15-8-3,16-9-4)17-10-5/h13H,6-12H2,1-5H3
InChIKeyBWNGJZJIJGTEGD-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.17
Rot. Bonds12

About triethoxy(1-propoxybutyl)silane

triethoxy(1-propoxybutyl)silane (PubChem CID 174856120) has the molecular formula C13H30O4Si and a molecular weight of 278.46 g/mol. Its IUPAC name is triethoxy(1-propoxybutyl)silane.

Molecular Properties

Compound Nametriethoxy(1-propoxybutyl)silane
PubChem CID174856120
Molecular FormulaC13H30O4Si
Molecular Weight278.46 g/mol
Exact Mass278.19
IUPAC Nametriethoxy(1-propoxybutyl)silane
SMILESCCCOC(CCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H30O4Si/c1-6-11-13(14-12-7-2)18(15-8-3,16-9-4)17-10-5/h13H,6-12H2,1-5H3
InChIKeyBWNGJZJIJGTEGD-UHFFFAOYSA-N
XLogP3.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.17
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 triethoxy(1-propoxybutyl)silane?
The IUPAC name of triethoxy(1-propoxybutyl)silane (CID 174856120) is triethoxy(1-propoxybutyl)silane.
What is the SMILES notation for triethoxy(1-propoxybutyl)silane?
The canonical SMILES for triethoxy(1-propoxybutyl)silane is CCCOC(CCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(1-propoxybutyl)silane?
The InChIKey is BWNGJZJIJGTEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O4Si/c1-6-11-13(14-12-7-2)18(15-8-3,16-9-4)17-10-5/h13H,6-12H2,1-5H3.
What are the key properties of triethoxy(1-propoxybutyl)silane?
triethoxy(1-propoxybutyl)silane has a molecular weight of 278.46 g/mol, XLogP of 3.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(1-propoxybutyl)silane is sourced from PubChem (CID 174856120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).