tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane

C23H46O4Si2 — CID 11247734

IUPACtert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane
SMILESCC1(C)O[C@H](/C=C/C/C=C/O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H46O4Si2/c1-21(2,3)28(9,10)24-17-15-13-14-16-19-20(27-23(7,8)26-19)18-25-29(11,12)22(4,5)6/h14-17,19-20H,13,18H2,1-12H3/b16-14+,17-15+/t19-,20-/m1/s1
InChIKeyWRWOFYZYEXNMHI-RWVSBWLQSA-N
MW442.79 g/mol
LogP7.01
Rot. Bonds8

About tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane

tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane (PubChem CID 11247734) has the molecular formula C23H46O4Si2 and a molecular weight of 442.79 g/mol. Its IUPAC name is tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane
PubChem CID11247734
Molecular FormulaC23H46O4Si2
Molecular Weight442.79 g/mol
Exact Mass442.29
IUPAC Nametert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane
SMILESCC1(C)O[C@H](/C=C/C/C=C/O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H46O4Si2/c1-21(2,3)28(9,10)24-17-15-13-14-16-19-20(27-23(7,8)26-19)18-25-29(11,12)22(4,5)6/h14-17,19-20H,13,18H2,1-12H3/b16-14+,17-15+/t19-,20-/m1/s1
InChIKeyWRWOFYZYEXNMHI-RWVSBWLQSA-N
XLogP7.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.79
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
tert-butyl-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 13846571
tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657489
tert-butyl-[[(2R,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657490
tert-butyl-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 49793489
(4s,5s,6r,2z)-6,7-Bis[(t-butyldimethyl-silyl)oxy]-4,5-(isopropylidenedioxy)hept-2-en-1-ol
CID 56600291
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one
CID 102273506
tert-butyl-[(3Z,6R,7E,9E,11Z,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)henicosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane
CID 102518307
tert-butyl-[(3Z,6R,7Z,9E,11Z,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)henicosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane
CID 102518308
(E)-3-[(4R,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 134887319

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane (CID 11247734) is tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane is CC1(C)O[C@H](/C=C/C/C=C/O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane?
The InChIKey is WRWOFYZYEXNMHI-RWVSBWLQSA-N. The full InChI is InChI=1S/C23H46O4Si2/c1-21(2,3)28(9,10)24-17-15-13-14-16-19-20(27-23(7,8)26-19)18-25-29(11,12)22(4,5)6/h14-17,19-20H,13,18H2,1-12H3/b16-14+,17-15+/t19-,20-/m1/s1.
What are the key properties of tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane?
tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane has a molecular weight of 442.79 g/mol, XLogP of 7.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E,4E)-5-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]penta-1,4-dienoxy]-dimethylsilane is sourced from PubChem (CID 11247734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).