2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C28H45NO6Si — CID 66846054

IUPAC2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC(C)(C)[Si](OCCOCCOCCOCCOCCOCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H45NO6Si/c1-28(2,3)36(26-10-6-4-7-11-26,27-12-8-5-9-13-27)35-25-24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29/h4-13H,14-25,29H2,1-3H3
InChIKeyGYBHKLDQDSWADS-UHFFFAOYSA-N
MW519.76 g/mol
LogP2.60
Rot. Bonds20

About 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 66846054) has the molecular formula C28H45NO6Si and a molecular weight of 519.76 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID66846054
Molecular FormulaC28H45NO6Si
Molecular Weight519.76 g/mol
Exact Mass519.30
IUPAC Name2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC(C)(C)[Si](OCCOCCOCCOCCOCCOCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H45NO6Si/c1-28(2,3)36(26-10-6-4-7-11-26,27-12-8-5-9-13-27)35-25-24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29/h4-13H,14-25,29H2,1-3H3
InChIKeyGYBHKLDQDSWADS-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 66846054) is 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is CC(C)(C)[Si](OCCOCCOCCOCCOCCOCCN)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is GYBHKLDQDSWADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45NO6Si/c1-28(2,3)36(26-10-6-4-7-11-26,27-12-8-5-9-13-27)35-25-24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29/h4-13H,14-25,29H2,1-3H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 519.76 g/mol, XLogP of 2.60, 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-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 66846054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).