3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol

C19H30F10O6 — CID 59289990

About 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol

3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol (PubChem CID 59289990) has the molecular formula C19H30F10O6 and a molecular weight of 544.42 g/mol. Its IUPAC name is 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol.

Molecular Properties

• Compound Name: 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol
• PubChem CID: 59289990
• Molecular Formula: C19H30F10O6
• Molecular Weight: 544.42 g/mol
• Exact Mass: 544.19
• IUPAC Name: 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol
• SMILES: CC(OCCOCC(C)(CO)COCC(F)(F)C(F)(F)F)C(C)(CO)COCC(F)(F)C(F)(F)F
• InChI: InChI=1S/C19H30F10O6/c1-13(15(3,7-31)10-34-12-17(22,23)19(27,28)29)35-5-4-32-8-14(2,6-30)9-33-11-16(20,21)18(24,25)26/h13,30-31H,4-12H2,1-3H3
• InChIKey: UZKZFXMOHOIVDB-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.42
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
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 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol?

The IUPAC name of 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol (CID 59289990) is 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol.

What is the SMILES notation for 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol?

The canonical SMILES for 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol is CC(OCCOCC(C)(CO)COCC(F)(F)C(F)(F)F)C(C)(CO)COCC(F)(F)C(F)(F)F.

What is the InChIKey of 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol?

The InChIKey is UZKZFXMOHOIVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F10O6/c1-13(15(3,7-31)10-34-12-17(22,23)19(27,28)29)35-5-4-32-8-14(2,6-30)9-33-11-16(20,21)18(24,25)26/h13,30-31H,4-12H2,1-3H3.

What are the key properties of 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol?

3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol has a molecular weight of 544.42 g/mol, XLogP of 3.83, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]ethoxy]-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butan-1-ol is sourced from PubChem (CID 59289990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).