4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol

C25H40F10O11 — CID 158711235

About 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol

4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol (PubChem CID 158711235) has the molecular formula C25H40F10O11 and a molecular weight of 706.56 g/mol. Its IUPAC name is 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol.

Molecular Properties

• Compound Name: 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol
• PubChem CID: 158711235
• Molecular Formula: C25H40F10O11
• Molecular Weight: 706.56 g/mol
• Exact Mass: 706.24
• IUPAC Name: 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol
• SMILES: C=CCCOCC(O)COCCC(O)COCC(OC(COC(F)(COCC(O)COCCO)C(F)(F)F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C25H40F10O11/c1-2-3-6-40-10-18(38)11-41-7-4-17(37)9-43-14-20(23(27,28)29)46-21(24(30,31)32)15-45-22(26,25(33,34)35)16-44-13-19(39)12-42-8-5-36/h2,17-21,36-39H,1,3-16H2
• InChIKey: IITAQBQUGZWTKP-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 145.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.56
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol?

The IUPAC name of 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol (CID 158711235) is 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol.

What is the SMILES notation for 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol?

The canonical SMILES for 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol is C=CCCOCC(O)COCCC(O)COCC(OC(COC(F)(COCC(O)COCCO)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol?

The InChIKey is IITAQBQUGZWTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40F10O11/c1-2-3-6-40-10-18(38)11-41-7-4-17(37)9-43-14-20(23(27,28)29)46-21(24(30,31)32)15-45-22(26,25(33,34)35)16-44-13-19(39)12-42-8-5-36/h2,17-21,36-39H,1,3-16H2.

What are the key properties of 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol?

4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol has a molecular weight of 706.56 g/mol, XLogP of 2.23, 27 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-but-3-enoxy-2-hydroxypropoxy)-1-[3,3,3-trifluoro-2-[1,1,1-trifluoro-3-[1,1,1,2-tetrafluoro-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]butan-2-ol is sourced from PubChem (CID 158711235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).