trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane

C25H52OSiSn — CID 12786205

IUPACtrimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane
SMILESC=C(CCC)C(C)(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C13H25OSi.3C4H9.Sn/c1-8-10-12(3)13(4,11-9-2)14-15(5,6)7;3*1-3-4-2;/h2,9H,3,8,10-11H2,1,4-7H3;3*1,3-4H2,2H3;
InChIKeyAICZMKPOLKQGGI-UHFFFAOYSA-N
MW515.49 g/mol
LogP9.29
Rot. Bonds17

About trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane

trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane (PubChem CID 12786205) has the molecular formula C25H52OSiSn and a molecular weight of 515.49 g/mol. Its IUPAC name is trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane
PubChem CID12786205
Molecular FormulaC25H52OSiSn
Molecular Weight515.49 g/mol
Exact Mass516.28
IUPAC Nametrimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane
SMILESC=C(CCC)C(C)(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C13H25OSi.3C4H9.Sn/c1-8-10-12(3)13(4,11-9-2)14-15(5,6)7;3*1-3-4-2;/h2,9H,3,8,10-11H2,1,4-7H3;3*1,3-4H2,2H3;
InChIKeyAICZMKPOLKQGGI-UHFFFAOYSA-N
XLogP9.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
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 trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane?
The IUPAC name of trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane (CID 12786205) is trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane.
What is the SMILES notation for trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane?
The canonical SMILES for trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane is C=C(CCC)C(C)(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane?
The InChIKey is AICZMKPOLKQGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25OSi.3C4H9.Sn/c1-8-10-12(3)13(4,11-9-2)14-15(5,6)7;3*1-3-4-2;/h2,9H,3,8,10-11H2,1,4-7H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane?
trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane has a molecular weight of 515.49 g/mol, XLogP of 9.29, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-4-methyl-5-methylidene-1-tributylstannyloct-1-en-4-yl]oxysilane is sourced from PubChem (CID 12786205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).