3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane

C22H46O7 — CID 153436884

About 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane

3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane (PubChem CID 153436884) has the molecular formula C22H46O7 and a molecular weight of 422.60 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane.

Molecular Properties

• Compound Name: 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
• PubChem CID: 153436884
• Molecular Formula: C22H46O7
• Molecular Weight: 422.60 g/mol
• Exact Mass: 422.32
• IUPAC Name: 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
• SMILES: CC(C)(C)CCOCCOCCOCCOCCOCCOCCOC(C)(C)C
• InChI: InChI=1S/C22H46O7/c1-21(2,3)7-8-23-9-10-24-11-12-25-13-14-26-15-16-27-17-18-28-19-20-29-22(4,5)6/h7-20H2,1-6H3
• InChIKey: YOEVPBVFVZNJMO-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.60
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane?

The IUPAC name of 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane (CID 153436884) is 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane.

What is the SMILES notation for 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane?

The canonical SMILES for 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane is CC(C)(C)CCOCCOCCOCCOCCOCCOCCOC(C)(C)C.

What is the InChIKey of 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane?

The InChIKey is YOEVPBVFVZNJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O7/c1-21(2,3)7-8-23-9-10-24-11-12-25-13-14-26-15-16-27-17-18-28-19-20-29-22(4,5)6/h7-20H2,1-6H3.

What are the key properties of 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane?

3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane has a molecular weight of 422.60 g/mol, XLogP of 3.34, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane is sourced from PubChem (CID 153436884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).