2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one

C104H206N4O13 — CID 161337439

About 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one

2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one (PubChem CID 161337439) has the molecular formula C104H206N4O13 and a molecular weight of 1720.81 g/mol. Its IUPAC name is 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one.

Molecular Properties

• Compound Name: 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one
• PubChem CID: 161337439
• Molecular Formula: C104H206N4O13
• Molecular Weight: 1720.81 g/mol
• Exact Mass: 1719.56
• IUPAC Name: 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one
• SMILES: CCCCCCCC(C)=O.CCCCCCCCC(CCCCCC)COC(=O)CCCCCCCCC(CCCCCC)OC(=O)OCCN(CCC)CCN(CC)CC.CCCCCCCCC(CCCCCC)COC(=O)CCCCCCCCC(CCCCCC)OC(=O)OCCN(CCOC(=O)CCCCCCC)CCN(CC)CC
• InChI: InChI=1S/C51H100N2O7.C44H88N2O5.C9H18O/c1-7-13-17-21-25-29-35-47(34-28-19-15-9-3)46-59-50(55)39-33-27-23-22-26-31-37-48(36-30-20-16-10-4)60-51(56)58-45-43-53(41-40-52(11-5)12-6)42-44-57-49(54)38-32-24-18-14-8-2;1-7-13-16-19-22-26-31-41(30-25-17-14-8-2)40-50-43(47)34-29-24-21-20-23-28-33-42(32-27-18-15-9-3)51-44(48)49-39-38-46(35-10-4)37-36-45(11-5)12-6;1-3-4-5-6-7-8-9(2)10/h47-48H,7-46H2,1-6H3;41-42H,7-40H2,1-6H3;3-8H2,1-2H3
• InChIKey: VMFLKLCJWCVCAU-UHFFFAOYSA-N
• XLogP: 29.50
• TPSA: 179.99 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 91
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1720.81
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one?

The IUPAC name of 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one (CID 161337439) is 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one.

What is the SMILES notation for 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one?

The canonical SMILES for 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one is CCCCCCCC(C)=O.CCCCCCCCC(CCCCCC)COC(=O)CCCCCCCCC(CCCCCC)OC(=O)OCCN(CCC)CCN(CC)CC.CCCCCCCCC(CCCCCC)COC(=O)CCCCCCCCC(CCCCCC)OC(=O)OCCN(CCOC(=O)CCCCCCC)CCN(CC)CC.

What is the InChIKey of 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one?

The InChIKey is VMFLKLCJWCVCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H100N2O7.C44H88N2O5.C9H18O/c1-7-13-17-21-25-29-35-47(34-28-19-15-9-3)46-59-50(55)39-33-27-23-22-26-31-37-48(36-30-20-16-10-4)60-51(56)58-45-43-53(41-40-52(11-5)12-6)42-44-57-49(54)38-32-24-18-14-8-2;1-7-13-16-19-22-26-31-41(30-25-17-14-8-2)40-50-43(47)34-29-24-21-20-23-28-33-42(32-27-18-15-9-3)51-44(48)49-39-38-46(35-10-4)37-36-45(11-5)12-6;1-3-4-5-6-7-8-9(2)10/h47-48H,7-46H2,1-6H3;41-42H,7-40H2,1-6H3;3-8H2,1-2H3.

What are the key properties of 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one?

2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one has a molecular weight of 1720.81 g/mol, XLogP of 29.50, 91 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-(2-octanoyloxyethyl)amino]ethoxycarbonyloxy]hexadecanoate;2-hexyldecyl 10-[2-[2-(diethylamino)ethyl-propylamino]ethoxycarbonyloxy]hexadecanoate;nonan-2-one is sourced from PubChem (CID 161337439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).