4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline

C27H45NO2Si2 — CID 163216748

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline
SMILESCC(CO[Si](C)(C)C(C)(C)C)N(c1ccccc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H45NO2Si2/c1-22(21-29-31(8,9)26(2,3)4)28(23-15-13-12-14-16-23)24-17-19-25(20-18-24)30-32(10,11)27(5,6)7/h12-20,22H,21H2,1-11H3
InChIKeyOKAJXORFOVKRRQ-UHFFFAOYSA-N
MW471.83 g/mol
LogP8.62
Rot. Bonds8

About 4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline

4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline (PubChem CID 163216748) has the molecular formula C27H45NO2Si2 and a molecular weight of 471.83 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline
PubChem CID163216748
Molecular FormulaC27H45NO2Si2
Molecular Weight471.83 g/mol
Exact Mass471.30
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline
SMILESCC(CO[Si](C)(C)C(C)(C)C)N(c1ccccc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H45NO2Si2/c1-22(21-29-31(8,9)26(2,3)4)28(23-15-13-12-14-16-23)24-17-19-25(20-18-24)30-32(10,11)27(5,6)7/h12-20,22H,21H2,1-11H3
InChIKeyOKAJXORFOVKRRQ-UHFFFAOYSA-N
XLogP8.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.83
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
CID 19763310
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
CID 10393091
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
2-(2-bromophenyl)propoxy-tert-butyl-dimethylsilane
CID 174100478
N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine
CID 134925763
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
(E)-2-bromo-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluoro-1-phenylbut-2-en-1-ol
CID 177483049
(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10521719

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline (CID 163216748) is 4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline is CC(CO[Si](C)(C)C(C)(C)C)N(c1ccccc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline?
The InChIKey is OKAJXORFOVKRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45NO2Si2/c1-22(21-29-31(8,9)26(2,3)4)28(23-15-13-12-14-16-23)24-17-19-25(20-18-24)30-32(10,11)27(5,6)7/h12-20,22H,21H2,1-11H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline?
4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline has a molecular weight of 471.83 g/mol, XLogP of 8.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline is sourced from PubChem (CID 163216748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).