trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane

C25H50OSiSn — CID 20565082

IUPACtrimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane
SMILESC=C(CCC)C(C)(CC#C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C13H23OSi.3C4H9.Sn/c1-8-10-12(3)13(4,11-9-2)14-15(5,6)7;3*1-3-4-2;/h3,8,10-11H2,1,4-7H3;3*1,3-4H2,2H3;
InChIKeyOJWZVMMGDRPPFH-UHFFFAOYSA-N
MW513.47 g/mol
LogP8.73
Rot. Bonds15

About trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane

trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane (PubChem CID 20565082) has the molecular formula C25H50OSiSn and a molecular weight of 513.47 g/mol. Its IUPAC name is trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane
PubChem CID20565082
Molecular FormulaC25H50OSiSn
Molecular Weight513.47 g/mol
Exact Mass514.27
IUPAC Nametrimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane
SMILESC=C(CCC)C(C)(CC#C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C13H23OSi.3C4H9.Sn/c1-8-10-12(3)13(4,11-9-2)14-15(5,6)7;3*1-3-4-2;/h3,8,10-11H2,1,4-7H3;3*1,3-4H2,2H3;
InChIKeyOJWZVMMGDRPPFH-UHFFFAOYSA-N
XLogP8.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.47
LogP ≤ 58.73
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane?
The IUPAC name of trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane (CID 20565082) is trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane.
What is the SMILES notation for trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane?
The canonical SMILES for trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane is C=C(CCC)C(C)(CC#C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C.
What is the InChIKey of trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane?
The InChIKey is OJWZVMMGDRPPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23OSi.3C4H9.Sn/c1-8-10-12(3)13(4,11-9-2)14-15(5,6)7;3*1-3-4-2;/h3,8,10-11H2,1,4-7H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane?
trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane has a molecular weight of 513.47 g/mol, XLogP of 8.73, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(4-methyl-5-methylidene-1-tributylstannyloct-1-yn-4-yl)oxysilane is sourced from PubChem (CID 20565082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).