[3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane

C34H50O2Si2 — CID 12036888

About [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane

[3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane (PubChem CID 12036888) has the molecular formula C34H50O2Si2 and a molecular weight of 546.94 g/mol. Its IUPAC name is [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
• PubChem CID: 12036888
• Molecular Formula: C34H50O2Si2
• Molecular Weight: 546.94 g/mol
• Exact Mass: 546.33
• IUPAC Name: [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
• SMILES: C#CC(C#CC#CC(C#C)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC
• InChI: InChI=1S/C34H50O2Si2/c1-17-33(35-15,23-25-37(27(3)4,28(5)6)29(7)8)21-19-20-22-34(18-2,36-16)24-26-38(30(9)10,31(11)12)32(13)14/h1-2,27-32H,3-16H3
• InChIKey: LSVBPQLGSUEWPB-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.94
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?

The IUPAC name of [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane (CID 12036888) is [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane.

What is the SMILES notation for [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?

The canonical SMILES for [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane is C#CC(C#CC#CC(C#C)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC.

What is the InChIKey of [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?

The InChIKey is LSVBPQLGSUEWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50O2Si2/c1-17-33(35-15,23-25-37(27(3)4,28(5)6)29(7)8)21-19-20-22-34(18-2,36-16)24-26-38(30(9)10,31(11)12)32(13)14/h1-2,27-32H,3-16H3.

What are the key properties of [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?

[3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane has a molecular weight of 546.94 g/mol, XLogP of 7.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 12036888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).