1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene

C24H30F12O6 — CID 176591337

About 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene

1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene (PubChem CID 176591337) has the molecular formula C24H30F12O6 and a molecular weight of 642.47 g/mol. Its IUPAC name is 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene.

Molecular Properties

• Compound Name: 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene
• PubChem CID: 176591337
• Molecular Formula: C24H30F12O6
• Molecular Weight: 642.47 g/mol
• Exact Mass: 642.19
• IUPAC Name: 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene
• SMILES: CCCCOC1=C(OCCOCCOCCOC2=C(OCCCC)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C24H30F12O6/c1-3-5-7-39-15-17(21(29,30)23(33,34)19(15,25)26)41-13-11-37-9-10-38-12-14-42-18-16(40-8-6-4-2)20(27,28)24(35,36)22(18,31)32/h3-14H2,1-2H3
• InChIKey: WHJKZKNNXXYXIW-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.47
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene?

The IUPAC name of 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene (CID 176591337) is 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene.

What is the SMILES notation for 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene?

The canonical SMILES for 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene is CCCCOC1=C(OCCOCCOCCOC2=C(OCCCC)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene?

The InChIKey is WHJKZKNNXXYXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F12O6/c1-3-5-7-39-15-17(21(29,30)23(33,34)19(15,25)26)41-13-11-37-9-10-38-12-14-42-18-16(40-8-6-4-2)20(27,28)24(35,36)22(18,31)32/h3-14H2,1-2H3.

What are the key properties of 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene?

1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene has a molecular weight of 642.47 g/mol, XLogP of 6.95, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene is sourced from PubChem (CID 176591337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).