triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane

C27H58OSiSn — CID 11146006

IUPACtriethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
SMILESCCCCC(C)(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C15H31OSi.3C4H9.Sn/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;3*1-3-4-2;/h2,8H,7,9-14H2,1,3-6H3;3*1,3-4H2,2H3;
InChIKeyNENOPGYBTMKDOA-UHFFFAOYSA-N
MW545.56 g/mol
LogP10.29
Rot. Bonds20

About triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane

triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane (PubChem CID 11146006) has the molecular formula C27H58OSiSn and a molecular weight of 545.56 g/mol. Its IUPAC name is triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
PubChem CID11146006
Molecular FormulaC27H58OSiSn
Molecular Weight545.56 g/mol
Exact Mass546.33
IUPAC Nametriethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
SMILESCCCCC(C)(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C15H31OSi.3C4H9.Sn/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;3*1-3-4-2;/h2,8H,7,9-14H2,1,3-6H3;3*1,3-4H2,2H3;
InChIKeyNENOPGYBTMKDOA-UHFFFAOYSA-N
XLogP10.29
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 ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane?
The IUPAC name of triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane (CID 11146006) is triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane?
The canonical SMILES for triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane is CCCCC(C)(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane?
The InChIKey is NENOPGYBTMKDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31OSi.3C4H9.Sn/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;3*1-3-4-2;/h2,8H,7,9-14H2,1,3-6H3;3*1,3-4H2,2H3;.
What are the key properties of triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane?
triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane has a molecular weight of 545.56 g/mol, XLogP of 10.29, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane is sourced from PubChem (CID 11146006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).