acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

C30H60O8 — CID 71341370

About acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 71341370) has the molecular formula C30H60O8 and a molecular weight of 548.80 g/mol. Its IUPAC name is acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 71341370
• Molecular Formula: C30H60O8
• Molecular Weight: 548.80 g/mol
• Exact Mass: 548.43
• IUPAC Name: acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CC(=O)O.CCCCCCCCC=CCCCCCCCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C28H56O6.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-30-21-23-32-25-27-34-28-26-33-24-22-31-20-18-29;1-2(3)4/h9-10,29H,2-8,11-28H2,1H3;1H3,(H,3,4)
• InChIKey: HVTPSUOTDCXECO-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 103.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 30
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.80
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 71341370) is acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is CC(=O)O.CCCCCCCCC=CCCCCCCCCOCCOCCOCCOCCOCCO.

What is the InChIKey of acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is HVTPSUOTDCXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O6.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-30-21-23-32-25-27-34-28-26-33-24-22-31-20-18-29;1-2(3)4/h9-10,29H,2-8,11-28H2,1H3;1H3,(H,3,4).

What are the key properties of acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 548.80 g/mol, XLogP of 6.19, 30 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 71341370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).