tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane

C28H56O4Si2 — CID 10673340

IUPACtert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane
SMILESCCCCC[C@H](/C=C/[C@H](/C=C/[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O4Si2/c1-14-15-16-17-23(31-33(10,11)26(2,3)4)18-19-24(32-34(12,13)27(5,6)7)20-21-25-22-29-28(8,9)30-25/h18-21,23-25H,14-17,22H2,1-13H3/b19-18+,21-20+/t23-,24-,25+/m1/s1
InChIKeyZHUKVYWRCCFQTC-OZPDVWPYSA-N
MW512.92 g/mol
LogP8.61
Rot. Bonds12

About tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane

tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane (PubChem CID 10673340) has the molecular formula C28H56O4Si2 and a molecular weight of 512.92 g/mol. Its IUPAC name is tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane
PubChem CID10673340
Molecular FormulaC28H56O4Si2
Molecular Weight512.92 g/mol
Exact Mass512.37
IUPAC Nametert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane
SMILESCCCCC[C@H](/C=C/[C@H](/C=C/[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O4Si2/c1-14-15-16-17-23(31-33(10,11)26(2,3)4)18-19-24(32-34(12,13)27(5,6)7)20-21-25-22-29-28(8,9)30-25/h18-21,23-25H,14-17,22H2,1-13H3/b19-18+,21-20+/t23-,24-,25+/m1/s1
InChIKeyZHUKVYWRCCFQTC-OZPDVWPYSA-N
XLogP8.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.92
LogP ≤ 58.61
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane (CID 10673340) is tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane is CCCCC[C@H](/C=C/[C@H](/C=C/[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane?
The InChIKey is ZHUKVYWRCCFQTC-OZPDVWPYSA-N. The full InChI is InChI=1S/C28H56O4Si2/c1-14-15-16-17-23(31-33(10,11)26(2,3)4)18-19-24(32-34(12,13)27(5,6)7)20-21-25-22-29-28(8,9)30-25/h18-21,23-25H,14-17,22H2,1-13H3/b19-18+,21-20+/t23-,24-,25+/m1/s1.
What are the key properties of tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane?
tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane has a molecular weight of 512.92 g/mol, XLogP of 8.61, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane is sourced from PubChem (CID 10673340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).