trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane

C36H52O3Si — CID 89188444

About trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane

trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane (PubChem CID 89188444) has the molecular formula C36H52O3Si and a molecular weight of 560.90 g/mol. Its IUPAC name is trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane.

Molecular Properties

• Compound Name: trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane
• PubChem CID: 89188444
• Molecular Formula: C36H52O3Si
• Molecular Weight: 560.90 g/mol
• Exact Mass: 560.37
• IUPAC Name: trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane
• SMILES: CCC(CC)(O[Si](C)(C)C)c1ccc(C(CC)(CC)c2ccc(-c3ccc(CCOOC)cc3)c(C)c2)cc1C
• InChI: InChI=1S/C36H52O3Si/c1-11-35(12-2,32-20-22-34(28(6)26-32)36(13-3,14-4)39-40(8,9)10)31-19-21-33(27(5)25-31)30-17-15-29(16-18-30)23-24-38-37-7/h15-22,25-26H,11-14,23-24H2,1-10H3
• InChIKey: UFPMTIKGHLKSBK-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.90
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane?

The IUPAC name of trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane (CID 89188444) is trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane.

What is the SMILES notation for trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane?

The canonical SMILES for trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane is CCC(CC)(O[Si](C)(C)C)c1ccc(C(CC)(CC)c2ccc(-c3ccc(CCOOC)cc3)c(C)c2)cc1C.

What is the InChIKey of trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane?

The InChIKey is UFPMTIKGHLKSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H52O3Si/c1-11-35(12-2,32-20-22-34(28(6)26-32)36(13-3,14-4)39-40(8,9)10)31-19-21-33(27(5)25-31)30-17-15-29(16-18-30)23-24-38-37-7/h15-22,25-26H,11-14,23-24H2,1-10H3.

What are the key properties of trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane?

trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane has a molecular weight of 560.90 g/mol, XLogP of 10.06, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[3-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]pentan-3-yloxy]silane is sourced from PubChem (CID 89188444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).