[(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane

C25H52OSiSn — CID 12940438

IUPAC[(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane
SMILESC=CC(C/C=C/[Sn](CCCC)(CCCC)CCCC)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C13H25OSi.3C4H9.Sn/c1-7-10-12-13(9-3,11-8-2)14-15(4,5)6;3*1-3-4-2;/h2,8-9H,3,7,10-12H2,1,4-6H3;3*1,3-4H2,2H3;
InChIKeyBDTOTYZECKXDMC-UHFFFAOYSA-N
MW515.49 g/mol
LogP9.29
Rot. Bonds18

About [(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane

[(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane (PubChem CID 12940438) has the molecular formula C25H52OSiSn and a molecular weight of 515.49 g/mol. Its IUPAC name is [(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane
PubChem CID12940438
Molecular FormulaC25H52OSiSn
Molecular Weight515.49 g/mol
Exact Mass516.28
IUPAC Name[(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane
SMILESC=CC(C/C=C/[Sn](CCCC)(CCCC)CCCC)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C13H25OSi.3C4H9.Sn/c1-7-10-12-13(9-3,11-8-2)14-15(4,5)6;3*1-3-4-2;/h2,8-9H,3,7,10-12H2,1,4-6H3;3*1,3-4H2,2H3;
InChIKeyBDTOTYZECKXDMC-UHFFFAOYSA-N
XLogP9.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.49
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane (CID 12940438) is [(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane is C=CC(C/C=C/[Sn](CCCC)(CCCC)CCCC)(CCCC)O[Si](C)(C)C.
What is the InChIKey of [(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane?
The InChIKey is BDTOTYZECKXDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25OSi.3C4H9.Sn/c1-7-10-12-13(9-3,11-8-2)14-15(4,5)6;3*1-3-4-2;/h2,8-9H,3,7,10-12H2,1,4-6H3;3*1,3-4H2,2H3;.
What are the key properties of [(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane?
[(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane has a molecular weight of 515.49 g/mol, XLogP of 9.29, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 12940438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).