2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione

C60H105NO26 — CID 159167859

About 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione

2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione (PubChem CID 159167859) has the molecular formula C60H105NO26 and a molecular weight of 1256.48 g/mol. Its IUPAC name is 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione.

Molecular Properties

• Compound Name: 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione
• PubChem CID: 159167859
• Molecular Formula: C60H105NO26
• Molecular Weight: 1256.48 g/mol
• Exact Mass: 1255.69
• IUPAC Name: 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione
• SMILES: CCCCCCCCCCCCCCCC(=O)NC(COC(=O)CCC(=O)OCCOCC)(COC(=O)CCC(=O)OCCOCC)COC(=O)CCC(=O)OCCOCC.CCOCCO.CCOCCOC(=O)CCC(=O)O.O=C1CCC(=O)O1
• InChI: InChI=1S/C44H77NO16.C8H14O5.C4H4O3.C4H10O2/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-37(46)45-44(34-59-41(50)25-22-38(47)56-31-28-53-6-2,35-60-42(51)26-23-39(48)57-32-29-54-7-3)36-61-43(52)27-24-40(49)58-33-30-55-8-4;1-2-12-5-6-13-8(11)4-3-7(9)10;5-3-1-2-4(6)7-3;1-2-6-4-3-5/h5-36H2,1-4H3,(H,45,46);2-6H2,1H3,(H,9,10);1-2H2;5H,2-4H2,1H3
• InChIKey: KLHNORNHTQAGKZ-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 360.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 52
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1256.48
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione?

The IUPAC name of 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione (CID 159167859) is 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione.

What is the SMILES notation for 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione?

The canonical SMILES for 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione is CCCCCCCCCCCCCCCC(=O)NC(COC(=O)CCC(=O)OCCOCC)(COC(=O)CCC(=O)OCCOCC)COC(=O)CCC(=O)OCCOCC.CCOCCO.CCOCCOC(=O)CCC(=O)O.O=C1CCC(=O)O1.

What is the InChIKey of 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione?

The InChIKey is KLHNORNHTQAGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H77NO16.C8H14O5.C4H4O3.C4H10O2/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-37(46)45-44(34-59-41(50)25-22-38(47)56-31-28-53-6-2,35-60-42(51)26-23-39(48)57-32-29-54-7-3)36-61-43(52)27-24-40(49)58-33-30-55-8-4;1-2-12-5-6-13-8(11)4-3-7(9)10;5-3-1-2-4(6)7-3;1-2-6-4-3-5/h5-36H2,1-4H3,(H,45,46);2-6H2,1H3,(H,9,10);1-2H2;5H,2-4H2,1H3.

What are the key properties of 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione?

2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione has a molecular weight of 1256.48 g/mol, XLogP of 6.33, 52 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxyethanol;4-(2-ethoxyethoxy)-4-oxobutanoic acid;4-O-[3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-[[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxymethyl]-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate;oxolane-2,5-dione is sourced from PubChem (CID 159167859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).