10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate

C86H142N2O4Si2 — CID 169273516

IUPAC10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCCCCOC(=O)CCCCCCCCCN(CCCCCCCCCCCC)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C86H142N2O4Si2/c1-9-11-13-15-17-19-21-22-23-24-25-26-28-34-40-58-72-87(75-78-91-93(85(3,4)5,80-62-48-44-49-63-80)81-64-50-45-51-65-81)73-59-41-35-29-30-37-43-61-77-90-84(89)70-56-38-32-31-36-42-60-74-88(71-57-39-33-27-20-18-16-14-12-10-2)76-79-92-94(86(6,7)8,82-66-52-46-53-67-82)83-68-54-47-55-69-83/h17,19,22-23,44-55,62-69H,9-16,18,20-21,24-43,56-61,70-79H2,1-8H3/b19-17-,23-22-
InChIKeyASOJXUYKWUWKFX-INUOOHOSSA-N
MW1324.26 g/mol
LogP22.26
Rot. Bonds59

About 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate

10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate (PubChem CID 169273516) has the molecular formula C86H142N2O4Si2 and a molecular weight of 1324.26 g/mol. Its IUPAC name is 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate.

Molecular Properties

Compound Name10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate
PubChem CID169273516
Molecular FormulaC86H142N2O4Si2
Molecular Weight1324.26 g/mol
Exact Mass1323.05
IUPAC Name10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCCCCOC(=O)CCCCCCCCCN(CCCCCCCCCCCC)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C86H142N2O4Si2/c1-9-11-13-15-17-19-21-22-23-24-25-26-28-34-40-58-72-87(75-78-91-93(85(3,4)5,80-62-48-44-49-63-80)81-64-50-45-51-65-81)73-59-41-35-29-30-37-43-61-77-90-84(89)70-56-38-32-31-36-42-60-74-88(71-57-39-33-27-20-18-16-14-12-10-2)76-79-92-94(86(6,7)8,82-66-52-46-53-67-82)83-68-54-47-55-69-83/h17,19,22-23,44-55,62-69H,9-16,18,20-21,24-43,56-61,70-79H2,1-8H3/b19-17-,23-22-
InChIKeyASOJXUYKWUWKFX-INUOOHOSSA-N
XLogP22.26
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds59
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001324.26
LogP ≤ 522.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate?
The IUPAC name of 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate (CID 169273516) is 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate.
What is the SMILES notation for 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate?
The canonical SMILES for 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate is CCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCCCCOC(=O)CCCCCCCCCN(CCCCCCCCCCCC)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate?
The InChIKey is ASOJXUYKWUWKFX-INUOOHOSSA-N. The full InChI is InChI=1S/C86H142N2O4Si2/c1-9-11-13-15-17-19-21-22-23-24-25-26-28-34-40-58-72-87(75-78-91-93(85(3,4)5,80-62-48-44-49-63-80)81-64-50-45-51-65-81)73-59-41-35-29-30-37-43-61-77-90-84(89)70-56-38-32-31-36-42-60-74-88(71-57-39-33-27-20-18-16-14-12-10-2)76-79-92-94(86(6,7)8,82-66-52-46-53-67-82)83-68-54-47-55-69-83/h17,19,22-23,44-55,62-69H,9-16,18,20-21,24-43,56-61,70-79H2,1-8H3/b19-17-,23-22-.
What are the key properties of 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate?
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate has a molecular weight of 1324.26 g/mol, XLogP of 22.26, 59 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-dodecylamino]decanoate is sourced from PubChem (CID 169273516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).