tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane

C38H52O4Si — CID 59435867

About tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane

tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane (PubChem CID 59435867) has the molecular formula C38H52O4Si and a molecular weight of 600.92 g/mol. Its IUPAC name is tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane
• PubChem CID: 59435867
• Molecular Formula: C38H52O4Si
• Molecular Weight: 600.92 g/mol
• Exact Mass: 600.36
• IUPAC Name: tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane
• SMILES: C=CC(OCc1ccccc1)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(C=C)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C38H52O4Si/c1-9-35(39-26-32-20-14-11-15-21-32)37(40-27-33-22-16-12-17-23-33)38(41-28-34-24-18-13-19-25-34)36(10-2)42-43(29(3)4,30(5)6)31(7)8/h9-25,29-31,35-38H,1-2,26-28H2,3-8H3/t35?,36?,37?,38-/m1/s1
• InChIKey: ILJFKIMIACNBIO-XIGYLGKGSA-N
• XLogP: 9.68
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.92
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane?

The IUPAC name of tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane (CID 59435867) is tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane.

What is the SMILES notation for tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane?

The canonical SMILES for tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane is C=CC(OCc1ccccc1)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(C=C)O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane?

The InChIKey is ILJFKIMIACNBIO-XIGYLGKGSA-N. The full InChI is InChI=1S/C38H52O4Si/c1-9-35(39-26-32-20-14-11-15-21-32)37(40-27-33-22-16-12-17-23-33)38(41-28-34-24-18-13-19-25-34)36(10-2)42-43(29(3)4,30(5)6)31(7)8/h9-25,29-31,35-38H,1-2,26-28H2,3-8H3/t35?,36?,37?,38-/m1/s1.

What are the key properties of tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane?

tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane has a molecular weight of 600.92 g/mol, XLogP of 9.68, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane is sourced from PubChem (CID 59435867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).