triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane

C27H58OSiSn — CID 74042255

IUPACtriethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane
SMILESCCCC[Sn](C=CCC(O[Si](CC)(CC)CC)C(C)CCC)(CCCC)CCCC
InChIInChI=1S/C15H31OSi.3C4H9.Sn/c1-7-12-14(6)15(13-8-2)16-17(9-3,10-4)11-5;3*1-3-4-2;/h2,8,14-15H,7,9-13H2,1,3-6H3;3*1,3-4H2,2H3;
InChIKeyXWDQRALKXXWXIO-UHFFFAOYSA-N
MW545.56 g/mol
LogP10.15
Rot. Bonds20

About triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane

triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane (PubChem CID 74042255) has the molecular formula C27H58OSiSn and a molecular weight of 545.56 g/mol. Its IUPAC name is triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane.

Molecular Properties

Compound Nametriethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane
PubChem CID74042255
Molecular FormulaC27H58OSiSn
Molecular Weight545.56 g/mol
Exact Mass546.33
IUPAC Nametriethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane
SMILESCCCC[Sn](C=CCC(O[Si](CC)(CC)CC)C(C)CCC)(CCCC)CCCC
InChIInChI=1S/C15H31OSi.3C4H9.Sn/c1-7-12-14(6)15(13-8-2)16-17(9-3,10-4)11-5;3*1-3-4-2;/h2,8,14-15H,7,9-13H2,1,3-6H3;3*1,3-4H2,2H3;
InChIKeyXWDQRALKXXWXIO-UHFFFAOYSA-N
XLogP10.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.56
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane?
The IUPAC name of triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane (CID 74042255) is triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane.
What is the SMILES notation for triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane?
The canonical SMILES for triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane is CCCC[Sn](C=CCC(O[Si](CC)(CC)CC)C(C)CCC)(CCCC)CCCC.
What is the InChIKey of triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane?
The InChIKey is XWDQRALKXXWXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31OSi.3C4H9.Sn/c1-7-12-14(6)15(13-8-2)16-17(9-3,10-4)11-5;3*1-3-4-2;/h2,8,14-15H,7,9-13H2,1,3-6H3;3*1,3-4H2,2H3;.
What are the key properties of triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane?
triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane has a molecular weight of 545.56 g/mol, XLogP of 10.15, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(5-methyl-1-tributylstannyloct-1-en-4-yl)oxysilane is sourced from PubChem (CID 74042255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).