trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane

C24H42OSi2 — CID 10938295

About trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane

trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane (PubChem CID 10938295) has the molecular formula C24H42OSi2 and a molecular weight of 402.77 g/mol. Its IUPAC name is trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane.

Molecular Properties

• Compound Name: trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane
• PubChem CID: 10938295
• Molecular Formula: C24H42OSi2
• Molecular Weight: 402.77 g/mol
• Exact Mass: 402.28
• IUPAC Name: trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane
• SMILES: CC(C)[Si](OCC/C=C/C=C/C=C/C=C/C#C[Si](C)(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C24H42OSi2/c1-22(2)27(23(3)4,24(5)6)25-20-18-16-14-12-10-11-13-15-17-19-21-26(7,8)9/h10-17,22-24H,18,20H2,1-9H3/b12-10+,13-11+,16-14+,17-15+
• InChIKey: DJRYUMAWPIEOLG-MKFJXQSYSA-N
• XLogP: 7.67
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.77
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane?

The IUPAC name of trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane (CID 10938295) is trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane.

What is the SMILES notation for trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane?

The canonical SMILES for trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane is CC(C)[Si](OCC/C=C/C=C/C=C/C=C/C#C[Si](C)(C)C)(C(C)C)C(C)C.

What is the InChIKey of trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane?

The InChIKey is DJRYUMAWPIEOLG-MKFJXQSYSA-N. The full InChI is InChI=1S/C24H42OSi2/c1-22(2)27(23(3)4,24(5)6)25-20-18-16-14-12-10-11-13-15-17-19-21-26(7,8)9/h10-17,22-24H,18,20H2,1-9H3/b12-10+,13-11+,16-14+,17-15+.

What are the key properties of trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane?

trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane has a molecular weight of 402.77 g/mol, XLogP of 7.67, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[(3E,5E,7E,9E)-12-tri(propan-2-yl)silyloxydodeca-3,5,7,9-tetraen-1-ynyl]silane is sourced from PubChem (CID 10938295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).