tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane

C22H44Br2O4Si2 — CID 11319276

IUPACtert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@H](C=C(Br)Br)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44Br2O4Si2/c1-15(27-29(10,11)20(2,3)4)18-19(26-22(8,9)25-18)16(14-17(23)24)28-30(12,13)21(5,6)7/h14-16,18-19H,1-13H3/t15-,16-,18-,19-/m0/s1
InChIKeyOOZYOSYPSBKEMI-CAMMJAKZSA-N
MW588.57 g/mol
LogP7.94
Rot. Bonds7

About tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane

tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane (PubChem CID 11319276) has the molecular formula C22H44Br2O4Si2 and a molecular weight of 588.57 g/mol. Its IUPAC name is tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane
PubChem CID11319276
Molecular FormulaC22H44Br2O4Si2
Molecular Weight588.57 g/mol
Exact Mass586.11
IUPAC Nametert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@H](C=C(Br)Br)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44Br2O4Si2/c1-15(27-29(10,11)20(2,3)4)18-19(26-22(8,9)25-18)16(14-17(23)24)28-30(12,13)21(5,6)7/h14-16,18-19H,1-13H3/t15-,16-,18-,19-/m0/s1
InChIKeyOOZYOSYPSBKEMI-CAMMJAKZSA-N
XLogP7.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.57
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane (CID 11319276) is tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@H](C=C(Br)Br)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane?
The InChIKey is OOZYOSYPSBKEMI-CAMMJAKZSA-N. The full InChI is InChI=1S/C22H44Br2O4Si2/c1-15(27-29(10,11)20(2,3)4)18-19(26-22(8,9)25-18)16(14-17(23)24)28-30(12,13)21(5,6)7/h14-16,18-19H,1-13H3/t15-,16-,18-,19-/m0/s1.
What are the key properties of tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane?
tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane has a molecular weight of 588.57 g/mol, XLogP of 7.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-3,3-dibromo-1-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11319276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).