2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol

C36H61NO2Si — CID 178054256

IUPAC2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol
SMILESCC(C)(C)c1cc(C(C)(C)C)cc([Si](OCCNCCO)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C(C)(C)C)c1
InChIInChI=1S/C36H61NO2Si/c1-32(2,3)26-20-27(33(4,5)6)23-30(22-26)40(36(13,14)15,39-19-17-37-16-18-38)31-24-28(34(7,8)9)21-29(25-31)35(10,11)12/h20-25,37-38H,16-19H2,1-15H3
InChIKeyZCSAZURFUHKQTE-UHFFFAOYSA-N
MW567.98 g/mol
LogP7.33
Rot. Bonds8

About 2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol

2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol (PubChem CID 178054256) has the molecular formula C36H61NO2Si and a molecular weight of 567.98 g/mol. Its IUPAC name is 2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol
PubChem CID178054256
Molecular FormulaC36H61NO2Si
Molecular Weight567.98 g/mol
Exact Mass567.45
IUPAC Name2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol
SMILESCC(C)(C)c1cc(C(C)(C)C)cc([Si](OCCNCCO)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C(C)(C)C)c1
InChIInChI=1S/C36H61NO2Si/c1-32(2,3)26-20-27(33(4,5)6)23-30(22-26)40(36(13,14)15,39-19-17-37-16-18-38)31-24-28(34(7,8)9)21-29(25-31)35(10,11)12/h20-25,37-38H,16-19H2,1-15H3
InChIKeyZCSAZURFUHKQTE-UHFFFAOYSA-N
XLogP7.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.98
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]propan-1-ol
CID 156692863
2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]ethanamine
CID 11427595
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[2-(2-tert-butylphenoxy)ethylamino]ethanol
CID 39259210
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
CID 160529353
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol
CID 115217050
2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride
CID 20553469
2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
CID 94687236
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol?
The IUPAC name of 2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol (CID 178054256) is 2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol.
What is the SMILES notation for 2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol?
The canonical SMILES for 2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol is CC(C)(C)c1cc(C(C)(C)C)cc([Si](OCCNCCO)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C(C)(C)C)c1.
What is the InChIKey of 2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol?
The InChIKey is ZCSAZURFUHKQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H61NO2Si/c1-32(2,3)26-20-27(33(4,5)6)23-30(22-26)40(36(13,14)15,39-19-17-37-16-18-38)31-24-28(34(7,8)9)21-29(25-31)35(10,11)12/h20-25,37-38H,16-19H2,1-15H3.
What are the key properties of 2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol?
2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol has a molecular weight of 567.98 g/mol, XLogP of 7.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl-bis(3,5-ditert-butylphenyl)silyl]oxyethylamino]ethanol is sourced from PubChem (CID 178054256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).