2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

C33H54O10 — CID 139769959

About 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 139769959) has the molecular formula C33H54O10 and a molecular weight of 610.79 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 139769959
• Molecular Formula: C33H54O10
• Molecular Weight: 610.79 g/mol
• Exact Mass: 610.37
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCCOCCOCCOCCOCCOC(=O)Cc1ccc(O)c(CCCCCCCCC)c1
• InChI: InChI=1S/C33H54O10/c1-4-5-6-7-8-9-10-11-30-26-29(12-13-31(30)34)27-32(35)42-24-22-40-20-18-38-16-14-37-15-17-39-19-21-41-23-25-43-33(36)28(2)3/h12-13,26,34H,2,4-11,14-25,27H2,1,3H3
• InChIKey: JPMIZMKYLXGGMU-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 118.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 29
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.79
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (CID 139769959) is 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOCCOCCOCCOCCOC(=O)Cc1ccc(O)c(CCCCCCCCC)c1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is JPMIZMKYLXGGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54O10/c1-4-5-6-7-8-9-10-11-30-26-29(12-13-31(30)34)27-32(35)42-24-22-40-20-18-38-16-14-37-15-17-39-19-21-41-23-25-43-33(36)28(2)3/h12-13,26,34H,2,4-11,14-25,27H2,1,3H3.

What are the key properties of 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 610.79 g/mol, XLogP of 4.97, 29 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenyl)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139769959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).