4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine

C30H47B2NO4 — CID 123993987

About 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine (PubChem CID 123993987) has the molecular formula C30H47B2NO4 and a molecular weight of 507.33 g/mol. Its IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine.

Molecular Properties

• Compound Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine
• PubChem CID: 123993987
• Molecular Formula: C30H47B2NO4
• Molecular Weight: 507.33 g/mol
• Exact Mass: 507.37
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine
• SMILES: CC1(C)OB(c2ccc(N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)c3c2CCC32CCCC2)OC1(C)C
• InChI: InChI=1S/C30H47B2NO4/c1-26(2)27(3,4)35-31(34-26)21-14-19-33(20-15-21)24-12-11-23(32-36-28(5,6)29(7,8)37-32)22-13-18-30(25(22)24)16-9-10-17-30/h11-12,21H,9-10,13-20H2,1-8H3
• InChIKey: SVYUGVDXLXWQCK-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 40.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.33
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine?

The IUPAC name of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine (CID 123993987) is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine.

What is the SMILES notation for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine?

The canonical SMILES for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine is CC1(C)OB(c2ccc(N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)c3c2CCC32CCCC2)OC1(C)C.

What is the InChIKey of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine?

The InChIKey is SVYUGVDXLXWQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47B2NO4/c1-26(2)27(3,4)35-31(34-26)21-14-19-33(20-15-21)24-12-11-23(32-36-28(5,6)29(7,8)37-32)22-13-18-30(25(22)24)16-9-10-17-30/h11-12,21H,9-10,13-20H2,1-8H3.

What are the key properties of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine?

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine has a molecular weight of 507.33 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]piperidine is sourced from PubChem (CID 123993987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).