tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane

C24H44OSi — CID 10619575

About tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane

tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane (PubChem CID 10619575) has the molecular formula C24H44OSi and a molecular weight of 376.70 g/mol. Its IUPAC name is tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane
• PubChem CID: 10619575
• Molecular Formula: C24H44OSi
• Molecular Weight: 376.70 g/mol
• Exact Mass: 376.32
• IUPAC Name: tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane
• SMILES: C#C/C(C)=C/[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)/C(C)=C/[C@@H](C)CC
• InChI: InChI=1S/C24H44OSi/c1-13-20(9)15-22(11)24(23(12)16-21(10)14-2)25-26(17(3)4,18(5)6)19(7)8/h1,15-19,21-22,24H,14H2,2-12H3/b20-15+,23-16+/t21-,22+,24+/m0/s1
• InChIKey: IGZSTDAXBODFCI-HMOJWLDESA-N
• XLogP: 7.76
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.70
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane?

The IUPAC name of tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane (CID 10619575) is tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane.

What is the SMILES notation for tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane?

The canonical SMILES for tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane is C#C/C(C)=C/[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)/C(C)=C/[C@@H](C)CC.

What is the InChIKey of tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane?

The InChIKey is IGZSTDAXBODFCI-HMOJWLDESA-N. The full InChI is InChI=1S/C24H44OSi/c1-13-20(9)15-22(11)24(23(12)16-21(10)14-2)25-26(17(3)4,18(5)6)19(7)8/h1,15-19,21-22,24H,14H2,2-12H3/b20-15+,23-16+/t21-,22+,24+/m0/s1.

What are the key properties of tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane?

tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane has a molecular weight of 376.70 g/mol, XLogP of 7.76, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane is sourced from PubChem (CID 10619575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).