2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C28H45NO6Si — CID 173024422

IUPAC2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC(C)(C)C(COCCOCCOCCOCCOCCN)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C28H45NO6Si/c1-28(2,3)27(35-36(25-10-6-4-7-11-25)26-12-8-5-9-13-26)24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29/h4-13,27,36H,14-24,29H2,1-3H3
InChIKeyOBQWXRAXMWOLKR-UHFFFAOYSA-N
MW519.76 g/mol
LogP2.00
Rot. Bonds20

About 2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 173024422) has the molecular formula C28H45NO6Si and a molecular weight of 519.76 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID173024422
Molecular FormulaC28H45NO6Si
Molecular Weight519.76 g/mol
Exact Mass519.30
IUPAC Name2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC(C)(C)C(COCCOCCOCCOCCOCCN)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C28H45NO6Si/c1-28(2,3)27(35-36(25-10-6-4-7-11-25)26-12-8-5-9-13-26)24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29/h4-13,27,36H,14-24,29H2,1-3H3
InChIKeyOBQWXRAXMWOLKR-UHFFFAOYSA-N
XLogP2.00
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.76
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2,2-dimethylhexan-3-yloxy(diphenyl)silane
CID 173016744
[1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate
CID 175096885
1-[2-(2-aminoethoxy)ethoxy]-5-phenylpentan-2-amine
CID 153322921
(1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane
CID 173387668
2-diphenylsilyloxy-3,3-dimethylbutanal
CID 173363396
4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexane-1,2-diamine
CID 173121594
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
[1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane
CID 173491702
2-[2-[2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethoxy]ethoxy]ethanamine
CID 146530606
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol
CID 144781174

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 173024422) is 2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is CC(C)(C)C(COCCOCCOCCOCCOCCN)O[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is OBQWXRAXMWOLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45NO6Si/c1-28(2,3)27(35-36(25-10-6-4-7-11-25)26-12-8-5-9-13-26)24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29/h4-13,27,36H,14-24,29H2,1-3H3.
What are the key properties of 2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 519.76 g/mol, XLogP of 2.00, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 173024422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).