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

C21H44O4Si2 — CID 23240874

IUPAC[(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESC/C=C(\C)C1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C21H44O4Si2/c1-13-16(2)19-24-17(14-22-26(9,10)20(3,4)5)18(25-19)15-23-27(11,12)21(6,7)8/h13,17-19H,14-15H2,1-12H3/b16-13+/t17-,18-/m1/s1
InChIKeyNRCURZWWYSYRKY-PGSVNHOBSA-N
MW416.75 g/mol
LogP6.11
Rot. Bonds7

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

[(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 23240874) has the molecular formula C21H44O4Si2 and a molecular weight of 416.75 g/mol. Its IUPAC name is [(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID23240874
Molecular FormulaC21H44O4Si2
Molecular Weight416.75 g/mol
Exact Mass416.28
IUPAC Name[(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESC/C=C(\C)C1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C21H44O4Si2/c1-13-16(2)19-24-17(14-22-26(9,10)20(3,4)5)18(25-19)15-23-27(11,12)21(6,7)8/h13,17-19H,14-15H2,1-12H3/b16-13+/t17-,18-/m1/s1
InChIKeyNRCURZWWYSYRKY-PGSVNHOBSA-N
XLogP6.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.75
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 23240870
ethyl (E)-3-[(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]prop-2-enoate
CID 23240876
tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 23240877
methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate
CID 23240884
tert-butyl-[[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-2,5-dihydrofuran-3-yl]methoxy]-dimethylsilane
CID 101252864

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane (CID 23240874) is [(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane is C/C=C(\C)C1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is NRCURZWWYSYRKY-PGSVNHOBSA-N. The full InChI is InChI=1S/C21H44O4Si2/c1-13-16(2)19-24-17(14-22-26(9,10)20(3,4)5)18(25-19)15-23-27(11,12)21(6,7)8/h13,17-19H,14-15H2,1-12H3/b16-13+/t17-,18-/m1/s1.
What are the key properties of [(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
[(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 416.75 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-2-[(E)-but-2-en-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 23240874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).