tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane

C37H80O4Si2Sn — CID 10996316

IUPACtert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](/C=C/[C@@H](CCCCCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C25H53O4Si2.3C4H9.Sn/c1-24(2,3)30(8,9)28-21-16-14-12-13-15-18-23(19-17-20-27-22-26-7)29-31(10,11)25(4,5)6;3*1-3-4-2;/h17,19-20,23H,12-16,18,21-22H2,1-11H3;3*1,3-4H2,2H3;/b19-17+;;;;/t23-;;;;/m1..../s1
InChIKeyYUSZTCULCUMHDV-KBIPWGMPSA-N
MW763.93 g/mol
LogP12.67
Rot. Bonds26

About tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane

tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane (PubChem CID 10996316) has the molecular formula C37H80O4Si2Sn and a molecular weight of 763.93 g/mol. Its IUPAC name is tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane
PubChem CID10996316
Molecular FormulaC37H80O4Si2Sn
Molecular Weight763.93 g/mol
Exact Mass764.46
IUPAC Nametert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](/C=C/[C@@H](CCCCCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C25H53O4Si2.3C4H9.Sn/c1-24(2,3)30(8,9)28-21-16-14-12-13-15-18-23(19-17-20-27-22-26-7)29-31(10,11)25(4,5)6;3*1-3-4-2;/h17,19-20,23H,12-16,18,21-22H2,1-11H3;3*1,3-4H2,2H3;/b19-17+;;;;/t23-;;;;/m1..../s1
InChIKeyYUSZTCULCUMHDV-KBIPWGMPSA-N
XLogP12.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.93
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane (CID 10996316) is tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane is CCCC[Sn](CCCC)(CCCC)[C@H](/C=C/[C@@H](CCCCCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane?
The InChIKey is YUSZTCULCUMHDV-KBIPWGMPSA-N. The full InChI is InChI=1S/C25H53O4Si2.3C4H9.Sn/c1-24(2,3)30(8,9)28-21-16-14-12-13-15-18-23(19-17-20-27-22-26-7)29-31(10,11)25(4,5)6;3*1-3-4-2;/h17,19-20,23H,12-16,18,21-22H2,1-11H3;3*1,3-4H2,2H3;/b19-17+;;;;/t23-;;;;/m1..../s1.
What are the key properties of tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane?
tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane has a molecular weight of 763.93 g/mol, XLogP of 12.67, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane is sourced from PubChem (CID 10996316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).