2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane

C22H32BClO4Si — CID 165124002

About 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane

2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 165124002) has the molecular formula C22H32BClO4Si and a molecular weight of 434.85 g/mol. Its IUPAC name is 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
• PubChem CID: 165124002
• Molecular Formula: C22H32BClO4Si
• Molecular Weight: 434.85 g/mol
• Exact Mass: 434.19
• IUPAC Name: 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
• SMILES: CC1(C)OB(c2cc(OCOCC[Si](C)(C)C)cc3cccc(Cl)c23)OC1(C)C
• InChI: InChI=1S/C22H32BClO4Si/c1-21(2)22(3,4)28-23(27-21)18-14-17(26-15-25-11-12-29(5,6)7)13-16-9-8-10-19(24)20(16)18/h8-10,13-14H,11-12,15H2,1-7H3
• InChIKey: XGQNYGOGSLFOKX-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.85
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane (CID 165124002) is 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane is CC1(C)OB(c2cc(OCOCC[Si](C)(C)C)cc3cccc(Cl)c23)OC1(C)C.

What is the InChIKey of 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?

The InChIKey is XGQNYGOGSLFOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32BClO4Si/c1-21(2)22(3,4)28-23(27-21)18-14-17(26-15-25-11-12-29(5,6)7)13-16-9-8-10-19(24)20(16)18/h8-10,13-14H,11-12,15H2,1-7H3.

What are the key properties of 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?

2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 434.85 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 165124002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).