tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane

C26H40N2O3S2Si2 — CID 19033992

IUPACtert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane
SMILESCOc1cccc2nc(C3=CC=C(CO[Si](C)(C)C(C)(C)C)SS3)c(O[Si](C)(C)C(C)(C)C)nc12
InChIInChI=1S/C26H40N2O3S2Si2/c1-25(2,3)34(8,9)30-17-18-15-16-21(33-32-18)23-24(31-35(10,11)26(4,5)6)28-22-19(27-23)13-12-14-20(22)29-7/h12-16H,17H2,1-11H3
InChIKeyLYXHUFKXHCVAJG-UHFFFAOYSA-N
MW548.92 g/mol
LogP8.66
Rot. Bonds7

About tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane

tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane (PubChem CID 19033992) has the molecular formula C26H40N2O3S2Si2 and a molecular weight of 548.92 g/mol. Its IUPAC name is tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane
PubChem CID19033992
Molecular FormulaC26H40N2O3S2Si2
Molecular Weight548.92 g/mol
Exact Mass548.20
IUPAC Nametert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane
SMILESCOc1cccc2nc(C3=CC=C(CO[Si](C)(C)C(C)(C)C)SS3)c(O[Si](C)(C)C(C)(C)C)nc12
InChIInChI=1S/C26H40N2O3S2Si2/c1-25(2,3)34(8,9)30-17-18-15-16-21(33-32-18)23-24(31-35(10,11)26(4,5)6)28-22-19(27-23)13-12-14-20(22)29-7/h12-16H,17H2,1-11H3
InChIKeyLYXHUFKXHCVAJG-UHFFFAOYSA-N
XLogP8.66
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.92
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane (CID 19033992) is tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane is COc1cccc2nc(C3=CC=C(CO[Si](C)(C)C(C)(C)C)SS3)c(O[Si](C)(C)C(C)(C)C)nc12.
What is the InChIKey of tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane?
The InChIKey is LYXHUFKXHCVAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O3S2Si2/c1-25(2,3)34(8,9)30-17-18-15-16-21(33-32-18)23-24(31-35(10,11)26(4,5)6)28-22-19(27-23)13-12-14-20(22)29-7/h12-16H,17H2,1-11H3.
What are the key properties of tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane?
tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane has a molecular weight of 548.92 g/mol, XLogP of 8.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 19033992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).