2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C38H76O12 — CID 139598232

About 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 139598232) has the molecular formula C38H76O12 and a molecular weight of 725.01 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 139598232
• Molecular Formula: C38H76O12
• Molecular Weight: 725.01 g/mol
• Exact Mass: 724.53
• IUPAC Name: 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• SMILES: CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(O)CO
• InChI: InChI=1S/C38H76O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-42-21-23-44-25-27-46-29-31-48-33-34-49-32-30-47-28-26-45-24-22-43-20-18-38(41)50-36-37(40)35-39/h37,39-40H,2-36H2,1H3
• InChIKey: ZOSJIWVENDWTKO-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 140.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 44
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	725.01
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 139598232) is 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(O)CO.

What is the InChIKey of 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The InChIKey is ZOSJIWVENDWTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-42-21-23-44-25-27-46-29-31-48-33-34-49-32-30-47-28-26-45-24-22-43-20-18-38(41)50-36-37(40)35-39/h37,39-40H,2-36H2,1H3.

What are the key properties of 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 725.01 g/mol, XLogP of 5.67, 44 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 139598232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).