2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane

C33H50OSi2 — CID 169049968

About 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane

2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 169049968) has the molecular formula C33H50OSi2 and a molecular weight of 518.93 g/mol. Its IUPAC name is 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane
• PubChem CID: 169049968
• Molecular Formula: C33H50OSi2
• Molecular Weight: 518.93 g/mol
• Exact Mass: 518.34
• IUPAC Name: 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane
• SMILES: COc1c(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc2cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc12
• InChI: InChI=1S/C33H50OSi2/c1-23(2)35(24(3)4,25(5)6)20-18-29-14-17-32-31(22-29)16-15-30(33(32)34-13)19-21-36(26(7)8,27(9)10)28(11)12/h14-17,22-28H,1-13H3
• InChIKey: XEFRLKDROPLSHV-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.93
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane?

The IUPAC name of 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane (CID 169049968) is 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane.

What is the SMILES notation for 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane?

The canonical SMILES for 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane is COc1c(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc2cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc12.

What is the InChIKey of 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane?

The InChIKey is XEFRLKDROPLSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50OSi2/c1-23(2)35(24(3)4,25(5)6)20-18-29-14-17-32-31(22-29)16-15-30(33(32)34-13)19-21-36(26(7)8,27(9)10)28(11)12/h14-17,22-28H,1-13H3.

What are the key properties of 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane?

2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 518.93 g/mol, XLogP of 9.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 169049968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).