7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one

C32H40F8O7Si — CID 153306011

About 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one

7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one (PubChem CID 153306011) has the molecular formula C32H40F8O7Si and a molecular weight of 716.74 g/mol. Its IUPAC name is 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one.

Molecular Properties

• Compound Name: 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one
• PubChem CID: 153306011
• Molecular Formula: C32H40F8O7Si
• Molecular Weight: 716.74 g/mol
• Exact Mass: 716.24
• IUPAC Name: 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one
• SMILES: CCCCCc1cc(OC)c(-c2cc3ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](C)(OCC)OCC)cc3oc2=O)o1
• InChI: InChI=1S/C32H40F8O7Si/c1-6-9-10-11-23-20-26(42-4)27(46-23)24-18-21-12-13-22(19-25(21)47-28(24)41)43-16-14-29(33,34)31(37,38)32(39,40)30(35,36)15-17-48(5,44-7-2)45-8-3/h12-13,18-20H,6-11,14-17H2,1-5H3
• InChIKey: ODPHGGSUZSLQJX-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 80.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.74
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one?

The IUPAC name of 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one (CID 153306011) is 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one.

What is the SMILES notation for 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one?

The canonical SMILES for 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one is CCCCCc1cc(OC)c(-c2cc3ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](C)(OCC)OCC)cc3oc2=O)o1.

What is the InChIKey of 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one?

The InChIKey is ODPHGGSUZSLQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F8O7Si/c1-6-9-10-11-23-20-26(42-4)27(46-23)24-18-21-12-13-22(19-25(21)47-28(24)41)43-16-14-29(33,34)31(37,38)32(39,40)30(35,36)15-17-48(5,44-7-2)45-8-3/h12-13,18-20H,6-11,14-17H2,1-5H3.

What are the key properties of 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one?

7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one has a molecular weight of 716.74 g/mol, XLogP of 9.64, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[8-[diethoxy(methyl)silyl]-3,3,4,4,5,5,6,6-octafluorooctoxy]-3-(3-methoxy-5-pentylfuran-2-yl)chromen-2-one is sourced from PubChem (CID 153306011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).