2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane

C26H52F10O5 — CID 162234172

About 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane

2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane (PubChem CID 162234172) has the molecular formula C26H52F10O5 and a molecular weight of 634.68 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane.

Molecular Properties

• Compound Name: 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane
• PubChem CID: 162234172
• Molecular Formula: C26H52F10O5
• Molecular Weight: 634.68 g/mol
• Exact Mass: 634.37
• IUPAC Name: 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane
• SMILES: C.C.C.C.CCC(C)(COCC(C)(C)COCC(C)(CO)COCC(F)(F)C(F)(F)F)COCC(F)(F)C(F)(F)F
• InChI: InChI=1S/C22H36F10O5.4CH4/c1-6-17(4,11-36-14-19(23,24)21(27,28)29)10-34-8-16(2,3)9-35-12-18(5,7-33)13-37-15-20(25,26)22(30,31)32;;;;/h33H,6-15H2,1-5H3;4*1H4
• InChIKey: ZVVMQHXZSWBGHI-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.68
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane?

The IUPAC name of 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane (CID 162234172) is 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane.

What is the SMILES notation for 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane?

The canonical SMILES for 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane is C.C.C.C.CCC(C)(COCC(C)(C)COCC(C)(CO)COCC(F)(F)C(F)(F)F)COCC(F)(F)C(F)(F)F.

What is the InChIKey of 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane?

The InChIKey is ZVVMQHXZSWBGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36F10O5.4CH4/c1-6-17(4,11-36-14-19(23,24)21(27,28)29)10-34-8-16(2,3)9-35-12-18(5,7-33)13-37-15-20(25,26)22(30,31)32;;;;/h33H,6-15H2,1-5H3;4*1H4.

What are the key properties of 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane?

2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane has a molecular weight of 634.68 g/mol, XLogP of 8.43, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane is sourced from PubChem (CID 162234172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).