tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane

C41H75FO3SiSn — CID 177424355

IUPACtert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane
SMILESCCCC[Sn](/C=C/C=C/C=C/C(F)=C/C=C/C=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)OCCOCC)(CCCC)CCCC
InChIInChI=1S/C29H48FO3Si.3C4H9.Sn/c1-11-13-14-17-20-27(30)21-18-15-16-19-24(3)28(33-34(9,10)29(6,7)8)25(4)26(5)32-23-22-31-12-2;3*1-3-4-2;/h1,11,13-21,24-26,28H,12,22-23H2,2-10H3;3*1,3-4H2,2H3;/b11-1?,14-13+,18-15+,19-16-,20-17+,27-21-;;;;/t24-,25-,26-,28+;;;;/m0..../s1
InChIKeyBODGOHGNTHJYAS-UTKGLJHJSA-N
MW781.84 g/mol
LogP13.11
Rot. Bonds26

About tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane

tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane (PubChem CID 177424355) has the molecular formula C41H75FO3SiSn and a molecular weight of 781.84 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane
PubChem CID177424355
Molecular FormulaC41H75FO3SiSn
Molecular Weight781.84 g/mol
Exact Mass782.45
IUPAC Nametert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane
SMILESCCCC[Sn](/C=C/C=C/C=C/C(F)=C/C=C/C=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)OCCOCC)(CCCC)CCCC
InChIInChI=1S/C29H48FO3Si.3C4H9.Sn/c1-11-13-14-17-20-27(30)21-18-15-16-19-24(3)28(33-34(9,10)29(6,7)8)25(4)26(5)32-23-22-31-12-2;3*1-3-4-2;/h1,11,13-21,24-26,28H,12,22-23H2,2-10H3;3*1,3-4H2,2H3;/b11-1?,14-13+,18-15+,19-16-,20-17+,27-21-;;;;/t24-,25-,26-,28+;;;;/m0..../s1
InChIKeyBODGOHGNTHJYAS-UTKGLJHJSA-N
XLogP13.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.84
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane (CID 177424355) is tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane is CCCC[Sn](/C=C/C=C/C=C/C(F)=C/C=C/C=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)OCCOCC)(CCCC)CCCC.
What is the InChIKey of tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane?
The InChIKey is BODGOHGNTHJYAS-UTKGLJHJSA-N. The full InChI is InChI=1S/C29H48FO3Si.3C4H9.Sn/c1-11-13-14-17-20-27(30)21-18-15-16-19-24(3)28(33-34(9,10)29(6,7)8)25(4)26(5)32-23-22-31-12-2;3*1-3-4-2;/h1,11,13-21,24-26,28H,12,22-23H2,2-10H3;3*1,3-4H2,2H3;/b11-1?,14-13+,18-15+,19-16-,20-17+,27-21-;;;;/t24-,25-,26-,28+;;;;/m0..../s1.
What are the key properties of tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane has a molecular weight of 781.84 g/mol, XLogP of 13.11, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,4R,5S,6Z,8E,10Z,12E,14E,16E)-2-(2-ethoxyethoxy)-11-fluoro-3,5-dimethyl-17-tributylstannylheptadeca-6,8,10,12,14,16-hexaen-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 177424355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).