10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate

C82H157N3O7 — CID 171586109

About 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate

10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate (PubChem CID 171586109) has the molecular formula C82H157N3O7 and a molecular weight of 1297.17 g/mol. Its IUPAC name is 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate.

Molecular Properties

• Compound Name: 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate
• PubChem CID: 171586109
• Molecular Formula: C82H157N3O7
• Molecular Weight: 1297.17 g/mol
• Exact Mass: 1296.20
• IUPAC Name: 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate
• SMILES: CCCCC/C=C\C/C=C\CCCCCCCCN(CCO)CCCCCCCCCCOC(=O)CCCCCCCCCN(CCO)CCCCCCCCCC(=O)OCCCCCCCCCCN(CCO)CCCCCCCC/C=C\C/C=C\CCCCC
• InChI: InChI=1S/C82H157N3O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-47-57-67-83(73-76-86)69-59-49-39-29-31-43-53-63-79-91-81(89)65-55-45-35-33-41-51-61-71-85(75-78-88)72-62-52-42-34-36-46-56-66-82(90)92-80-64-54-44-32-30-40-50-60-70-84(74-77-87)68-58-48-38-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,86-88H,3-10,15-16,21-80H2,1-2H3/b13-11-,14-12-,19-17-,20-18-
• InChIKey: TWFSCCCBCWDYMS-MAZCIEHSSA-N
• XLogP: 22.07
• TPSA: 123.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 78
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.17
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate?

The IUPAC name of 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate (CID 171586109) is 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate.

What is the SMILES notation for 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate?

The canonical SMILES for 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate is CCCCC/C=C\C/C=C\CCCCCCCCN(CCO)CCCCCCCCCCOC(=O)CCCCCCCCCN(CCO)CCCCCCCCCC(=O)OCCCCCCCCCCN(CCO)CCCCCCCC/C=C\C/C=C\CCCCC.

What is the InChIKey of 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate?

The InChIKey is TWFSCCCBCWDYMS-MAZCIEHSSA-N. The full InChI is InChI=1S/C82H157N3O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-47-57-67-83(73-76-86)69-59-49-39-29-31-43-53-63-79-91-81(89)65-55-45-35-33-41-51-61-71-85(75-78-88)72-62-52-42-34-36-46-56-66-82(90)92-80-64-54-44-32-30-40-50-60-70-84(74-77-87)68-58-48-38-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,86-88H,3-10,15-16,21-80H2,1-2H3/b13-11-,14-12-,19-17-,20-18-.

What are the key properties of 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate?

10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate has a molecular weight of 1297.17 g/mol, XLogP of 22.07, 78 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decyl 10-[2-hydroxyethyl-[10-[10-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decoxy]-10-oxodecyl]amino]decanoate is sourced from PubChem (CID 171586109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).