N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline

C27H51NO2Si3 — CID 59370991

IUPACN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline
SMILESCC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C27H51NO2Si3/c1-26(2,3)32(10,11)29-21-19-28(20-22-30-33(12,13)27(4,5)6)25-16-14-24(15-17-25)18-23-31(7,8)9/h14-17H,19-22H2,1-13H3
InChIKeyZGGLHJLPEWFTIK-UHFFFAOYSA-N
MW505.97 g/mol
LogP7.77
Rot. Bonds9

About N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline

N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline (PubChem CID 59370991) has the molecular formula C27H51NO2Si3 and a molecular weight of 505.97 g/mol. Its IUPAC name is N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline.

Molecular Properties

Compound NameN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline
PubChem CID59370991
Molecular FormulaC27H51NO2Si3
Molecular Weight505.97 g/mol
Exact Mass505.32
IUPAC NameN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline
SMILESCC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C27H51NO2Si3/c1-26(2,3)32(10,11)29-21-19-28(20-22-30-33(12,13)27(4,5)6)25-16-14-24(15-17-25)18-23-31(7,8)9/h14-17H,19-22H2,1-13H3
InChIKeyZGGLHJLPEWFTIK-UHFFFAOYSA-N
XLogP7.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.97
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline?
The IUPAC name of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline (CID 59370991) is N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline.
What is the SMILES notation for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline?
The canonical SMILES for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline is CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(C#C[Si](C)(C)C)cc1.
What is the InChIKey of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline?
The InChIKey is ZGGLHJLPEWFTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51NO2Si3/c1-26(2,3)32(10,11)29-21-19-28(20-22-30-33(12,13)27(4,5)6)25-16-14-24(15-17-25)18-23-31(7,8)9/h14-17H,19-22H2,1-13H3.
What are the key properties of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline?
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline has a molecular weight of 505.97 g/mol, XLogP of 7.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline is sourced from PubChem (CID 59370991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).