triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane

C23H40OSi2 — CID 12036886

About triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane

triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane (PubChem CID 12036886) has the molecular formula C23H40OSi2 and a molecular weight of 388.74 g/mol. Its IUPAC name is triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane.

Molecular Properties

• Compound Name: triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane
• PubChem CID: 12036886
• Molecular Formula: C23H40OSi2
• Molecular Weight: 388.74 g/mol
• Exact Mass: 388.26
• IUPAC Name: triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane
• SMILES: C#CC(C#C[Si](CC)(CC)CC)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC
• InChI: InChI=1S/C23H40OSi2/c1-12-23(24-11,16-18-25(13-2,14-3)15-4)17-19-26(20(5)6,21(7)8)22(9)10/h1,20-22H,13-15H2,2-11H3
• InChIKey: UBHCGOGBLSURDG-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.74
LogP ≤ 5	6.28
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 triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane?

The IUPAC name of triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane (CID 12036886) is triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane.

What is the SMILES notation for triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane?

The canonical SMILES for triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane is C#CC(C#C[Si](CC)(CC)CC)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC.

What is the InChIKey of triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane?

The InChIKey is UBHCGOGBLSURDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40OSi2/c1-12-23(24-11,16-18-25(13-2,14-3)15-4)17-19-26(20(5)6,21(7)8)22(9)10/h1,20-22H,13-15H2,2-11H3.

What are the key properties of triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane?

triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane has a molecular weight of 388.74 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[3-ethynyl-3-methoxy-5-tri(propan-2-yl)silylpenta-1,4-diynyl]silane is sourced from PubChem (CID 12036886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).