[(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane

C22H47BrO2Si2 — CID 53329189

IUPAC[(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CBr
InChIInChI=1S/C22H47BrO2Si2/c1-17(16-23)14-18(2)20(25-27(12,13)22(7,8)9)15-19(3)24-26(10,11)21(4,5)6/h14,18-20H,15-16H2,1-13H3/b17-14+/t18-,19-,20-/m1/s1
InChIKeyVLIJWIKOJSUGAF-PGLMLKKXSA-N
MW479.69 g/mol
LogP8.15
Rot. Bonds9

About [(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane

[(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 53329189) has the molecular formula C22H47BrO2Si2 and a molecular weight of 479.69 g/mol. Its IUPAC name is [(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID53329189
Molecular FormulaC22H47BrO2Si2
Molecular Weight479.69 g/mol
Exact Mass478.23
IUPAC Name[(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CBr
InChIInChI=1S/C22H47BrO2Si2/c1-17(16-23)14-18(2)20(25-27(12,13)22(7,8)9)15-19(3)24-26(10,11)21(4,5)6/h14,18-20H,15-16H2,1-13H3/b17-14+/t18-,19-,20-/m1/s1
InChIKeyVLIJWIKOJSUGAF-PGLMLKKXSA-N
XLogP8.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.69
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 [(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane (CID 53329189) is [(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane is C/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CBr.
What is the InChIKey of [(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is VLIJWIKOJSUGAF-PGLMLKKXSA-N. The full InChI is InChI=1S/C22H47BrO2Si2/c1-17(16-23)14-18(2)20(25-27(12,13)22(7,8)9)15-19(3)24-26(10,11)21(4,5)6/h14,18-20H,15-16H2,1-13H3/b17-14+/t18-,19-,20-/m1/s1.
What are the key properties of [(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane?
[(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 479.69 g/mol, XLogP of 8.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 53329189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).