1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane

C26H26F24O3 — CID 57032633

About 1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane

1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane (PubChem CID 57032633) has the molecular formula C26H26F24O3 and a molecular weight of 842.44 g/mol. Its IUPAC name is 1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane.

Molecular Properties

• Compound Name: 1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
• PubChem CID: 57032633
• Molecular Formula: C26H26F24O3
• Molecular Weight: 842.44 g/mol
• Exact Mass: 842.15
• IUPAC Name: 1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
• SMILES: C=C(CCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)OC(=C)CCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
• InChI: InChI=1S/C26H26F24O3/c1-13(9-5-7-11-51-25(47,48)23(43,44)21(39,40)19(35,36)17(31,32)15(3,27)28)53-14(2)10-6-8-12-52-26(49,50)24(45,46)22(41,42)20(37,38)18(33,34)16(4,29)30/h1-2,5-12H2,3-4H3
• InChIKey: BFWNPGKKFRTVSR-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 24
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.44
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?

The IUPAC name of 1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane (CID 57032633) is 1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane.

What is the SMILES notation for 1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?

The canonical SMILES for 1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane is C=C(CCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)OC(=C)CCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.

What is the InChIKey of 1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?

The InChIKey is BFWNPGKKFRTVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F24O3/c1-13(9-5-7-11-51-25(47,48)23(43,44)21(39,40)19(35,36)17(31,32)15(3,27)28)53-14(2)10-6-8-12-52-26(49,50)24(45,46)22(41,42)20(37,38)18(33,34)16(4,29)30/h1-2,5-12H2,3-4H3.

What are the key properties of 1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?

1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane has a molecular weight of 842.44 g/mol, XLogP of 11.98, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[6-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)hex-1-en-2-yloxy]hex-5-enoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane is sourced from PubChem (CID 57032633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).