2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C35H62O12 — CID 101226367

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 101226367) has the molecular formula C35H62O12 and a molecular weight of 674.87 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
• PubChem CID: 101226367
• Molecular Formula: C35H62O12
• Molecular Weight: 674.87 g/mol
• Exact Mass: 674.42
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
• SMILES: CCC(C)CCC(CC)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O)cc1
• InChI: InChI=1S/C35H62O12/c1-4-31(3)6-7-32(5-2)33-8-10-34(11-9-33)47-29-28-45-25-24-43-21-20-41-17-16-39-13-12-38-14-15-40-18-19-42-22-23-44-26-27-46-30-35(36)37/h8-11,31-32H,4-7,12-30H2,1-3H3,(H,36,37)
• InChIKey: QLDDLZNPHBETCU-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 129.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 36
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.87
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 101226367) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is CCC(C)CCC(CC)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O)cc1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?

The InChIKey is QLDDLZNPHBETCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62O12/c1-4-31(3)6-7-32(5-2)33-8-10-34(11-9-33)47-29-28-45-25-24-43-21-20-41-17-16-39-13-12-38-14-15-40-18-19-42-22-23-44-26-27-46-30-35(36)37/h8-11,31-32H,4-7,12-30H2,1-3H3,(H,36,37).

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 674.87 g/mol, XLogP of 4.62, 36 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 101226367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).