2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol

C32H65NO6 — CID 11505020

About 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 11505020) has the molecular formula C32H65NO6 and a molecular weight of 559.87 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 11505020
• Molecular Formula: C32H65NO6
• Molecular Weight: 559.87 g/mol
• Exact Mass: 559.48
• IUPAC Name: 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCC/C=C\CCCCCCCCOC(CCN(C)C)COCCOCCOCCOCCO
• InChI: InChI=1S/C32H65NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-39-32(20-21-33(2)3)31-38-30-29-37-28-27-36-26-25-35-24-22-34/h11-12,32,34H,4-10,13-31H2,1-3H3/b12-11-
• InChIKey: LNHTWONQHXNRJG-QXMHVHEDSA-N
• XLogP: 6.42
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 33
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.87
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
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 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 11505020) is 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCC/C=C\CCCCCCCCOC(CCN(C)C)COCCOCCOCCOCCO.

What is the InChIKey of 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is LNHTWONQHXNRJG-QXMHVHEDSA-N. The full InChI is InChI=1S/C32H65NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-39-32(20-21-33(2)3)31-38-30-29-37-28-27-36-26-25-35-24-22-34/h11-12,32,34H,4-10,13-31H2,1-3H3/b12-11-.

What are the key properties of 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 559.87 g/mol, XLogP of 6.42, 33 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[4-(dimethylamino)-2-[(Z)-octadec-9-enoxy]butoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 11505020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).