tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid

C24H44N2O4Si2 — CID 175561795

IUPACtert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1O[Si](C)(C)C(C)(C)C.CCC(=O)O.c1c[nH]cn1
InChIInChI=1S/C18H34O2Si2.C3H4N2.C3H6O2/c1-17(2,3)21(7,8)19-15-13-11-12-14-16(15)20-22(9,10)18(4,5)6;1-2-5-3-4-1;1-2-3(4)5/h11-14H,1-10H3;1-3H,(H,4,5);2H2,1H3,(H,4,5)
InChIKeyMWZVNWLWYPBALD-UHFFFAOYSA-N
MW480.80 g/mol
LogP7.35
Rot. Bonds5

About tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid

tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid (PubChem CID 175561795) has the molecular formula C24H44N2O4Si2 and a molecular weight of 480.80 g/mol. Its IUPAC name is tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid.

Molecular Properties

Compound Nametert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid
PubChem CID175561795
Molecular FormulaC24H44N2O4Si2
Molecular Weight480.80 g/mol
Exact Mass480.28
IUPAC Nametert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1O[Si](C)(C)C(C)(C)C.CCC(=O)O.c1c[nH]cn1
InChIInChI=1S/C18H34O2Si2.C3H4N2.C3H6O2/c1-17(2,3)21(7,8)19-15-13-11-12-14-16(15)20-22(9,10)18(4,5)6;1-2-5-3-4-1;1-2-3(4)5/h11-14H,1-10H3;1-3H,(H,4,5);2H2,1H3,(H,4,5)
InChIKeyMWZVNWLWYPBALD-UHFFFAOYSA-N
XLogP7.35
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.80
LogP ≤ 57.35
H-Bond Donors ≤ 52
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-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid?
The IUPAC name of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid (CID 175561795) is tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid.
What is the SMILES notation for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid?
The canonical SMILES for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid is CC(C)(C)[Si](C)(C)Oc1ccccc1O[Si](C)(C)C(C)(C)C.CCC(=O)O.c1c[nH]cn1.
What is the InChIKey of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid?
The InChIKey is MWZVNWLWYPBALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si2.C3H4N2.C3H6O2/c1-17(2,3)21(7,8)19-15-13-11-12-14-16(15)20-22(9,10)18(4,5)6;1-2-5-3-4-1;1-2-3(4)5/h11-14H,1-10H3;1-3H,(H,4,5);2H2,1H3,(H,4,5).
What are the key properties of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid?
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid has a molecular weight of 480.80 g/mol, XLogP of 7.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid is sourced from PubChem (CID 175561795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).