trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane

C38H50O3Si — CID 88968232

About trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane

trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane (PubChem CID 88968232) has the molecular formula C38H50O3Si and a molecular weight of 582.90 g/mol. Its IUPAC name is trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane.

Molecular Properties

• Compound Name: trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane
• PubChem CID: 88968232
• Molecular Formula: C38H50O3Si
• Molecular Weight: 582.90 g/mol
• Exact Mass: 582.35
• IUPAC Name: trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane
• SMILES: CCC(CC)(c1ccc(C#CC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(-c2ccc(CCOOC)cc2)c(C)c1
• InChI: InChI=1S/C38H50O3Si/c1-9-38(10-2,35-19-20-36(30(4)28-35)33-15-13-31(14-16-33)22-26-40-39-5)34-18-17-32(29(3)27-34)21-25-37(23-11-12-24-37)41-42(6,7)8/h13-20,27-28H,9-12,22-24,26H2,1-8H3
• InChIKey: ULVPCHZNDHRQEJ-UHFFFAOYSA-N
• XLogP: 9.71
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.90
LogP ≤ 5	9.71
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane?

The IUPAC name of trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane (CID 88968232) is trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane.

What is the SMILES notation for trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane?

The canonical SMILES for trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane is CCC(CC)(c1ccc(C#CC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(-c2ccc(CCOOC)cc2)c(C)c1.

What is the InChIKey of trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane?

The InChIKey is ULVPCHZNDHRQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50O3Si/c1-9-38(10-2,35-19-20-36(30(4)28-35)33-15-13-31(14-16-33)22-26-40-39-5)34-18-17-32(29(3)27-34)21-25-37(23-11-12-24-37)41-42(6,7)8/h13-20,27-28H,9-12,22-24,26H2,1-8H3.

What are the key properties of trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane?

trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane has a molecular weight of 582.90 g/mol, XLogP of 9.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-[4-(2-methylperoxyethyl)phenyl]phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane is sourced from PubChem (CID 88968232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).