N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline

C19H37NO2Si2 — CID 91741360

IUPACN-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline
SMILESCOc1ccc(N[Si](C)(C)C(C)(C)C)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H37NO2Si2/c1-18(2,3)23(8,9)20-15-12-13-16(21-7)17(14-15)22-24(10,11)19(4,5)6/h12-14,20H,1-11H3
InChIKeyFDGVNDZSHWYHME-UHFFFAOYSA-N
MW367.68 g/mol
LogP6.50
Rot. Bonds5

About N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline

N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline (PubChem CID 91741360) has the molecular formula C19H37NO2Si2 and a molecular weight of 367.68 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline
PubChem CID91741360
Molecular FormulaC19H37NO2Si2
Molecular Weight367.68 g/mol
Exact Mass367.24
IUPAC NameN-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline
SMILESCOc1ccc(N[Si](C)(C)C(C)(C)C)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H37NO2Si2/c1-18(2,3)23(8,9)20-15-12-13-16(21-7)17(14-15)22-24(10,11)19(4,5)6/h12-14,20H,1-11H3
InChIKeyFDGVNDZSHWYHME-UHFFFAOYSA-N
XLogP6.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.68
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline (CID 91741360) is N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline is COc1ccc(N[Si](C)(C)C(C)(C)C)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline?
The InChIKey is FDGVNDZSHWYHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2Si2/c1-18(2,3)23(8,9)20-15-12-13-16(21-7)17(14-15)22-24(10,11)19(4,5)6/h12-14,20H,1-11H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline?
N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline has a molecular weight of 367.68 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline is sourced from PubChem (CID 91741360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).