(2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane

C25H32OSi — CID 139784555

About (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane

(2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane (PubChem CID 139784555) has the molecular formula C25H32OSi and a molecular weight of 376.62 g/mol. Its IUPAC name is (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane.

Molecular Properties

• Compound Name: (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane
• PubChem CID: 139784555
• Molecular Formula: C25H32OSi
• Molecular Weight: 376.62 g/mol
• Exact Mass: 376.22
• IUPAC Name: (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane
• SMILES: COc1c(-c2ccccc2)cc(C)cc1[Si](C)(C)C1=C(CC(C)C)C=CC1
• InChI: InChI=1S/C25H32OSi/c1-18(2)15-21-13-10-14-23(21)27(5,6)24-17-19(3)16-22(25(24)26-4)20-11-8-7-9-12-20/h7-13,16-18H,14-15H2,1-6H3
• InChIKey: BWBZBWWYSOVVJE-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.62
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane?

The IUPAC name of (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane (CID 139784555) is (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane.

What is the SMILES notation for (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane?

The canonical SMILES for (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane is COc1c(-c2ccccc2)cc(C)cc1[Si](C)(C)C1=C(CC(C)C)C=CC1.

What is the InChIKey of (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane?

The InChIKey is BWBZBWWYSOVVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32OSi/c1-18(2)15-21-13-10-14-23(21)27(5,6)24-17-19(3)16-22(25(24)26-4)20-11-8-7-9-12-20/h7-13,16-18H,14-15H2,1-6H3.

What are the key properties of (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane?

(2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane has a molecular weight of 376.62 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane is sourced from PubChem (CID 139784555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).