[(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane

C26H48O3SiSn — CID 163640266

IUPAC[(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane
SMILESCCCC[Sn](/C=C/C(COc1ccc(OC)cc1)O[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C14H21O3Si.3C4H9.Sn/c1-6-12(17-18(3,4)5)11-16-14-9-7-13(15-2)8-10-14;3*1-3-4-2;/h1,6-10,12H,11H2,2-5H3;3*1,3-4H2,2H3;
InChIKeyIDQHZMGYVPGSKJ-UHFFFAOYSA-N
MW555.46 g/mol
LogP8.24
Rot. Bonds17

About [(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane

[(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane (PubChem CID 163640266) has the molecular formula C26H48O3SiSn and a molecular weight of 555.46 g/mol. Its IUPAC name is [(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane
PubChem CID163640266
Molecular FormulaC26H48O3SiSn
Molecular Weight555.46 g/mol
Exact Mass556.24
IUPAC Name[(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane
SMILESCCCC[Sn](/C=C/C(COc1ccc(OC)cc1)O[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C14H21O3Si.3C4H9.Sn/c1-6-12(17-18(3,4)5)11-16-14-9-7-13(15-2)8-10-14;3*1-3-4-2;/h1,6-10,12H,11H2,2-5H3;3*1,3-4H2,2H3;
InChIKeyIDQHZMGYVPGSKJ-UHFFFAOYSA-N
XLogP8.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.46
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane 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 [(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane (CID 163640266) is [(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane is CCCC[Sn](/C=C/C(COc1ccc(OC)cc1)O[Si](C)(C)C)(CCCC)CCCC.
What is the InChIKey of [(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane?
The InChIKey is IDQHZMGYVPGSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O3Si.3C4H9.Sn/c1-6-12(17-18(3,4)5)11-16-14-9-7-13(15-2)8-10-14;3*1-3-4-2;/h1,6-10,12H,11H2,2-5H3;3*1,3-4H2,2H3;.
What are the key properties of [(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane?
[(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane has a molecular weight of 555.46 g/mol, XLogP of 8.24, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-methoxyphenoxy)-4-tributylstannylbut-3-en-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 163640266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).