butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

C24H40Si2 — CID 173473065

About butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173473065) has the molecular formula C24H40Si2 and a molecular weight of 384.76 g/mol. Its IUPAC name is butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

• Compound Name: butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
• PubChem CID: 173473065
• Molecular Formula: C24H40Si2
• Molecular Weight: 384.76 g/mol
• Exact Mass: 384.27
• IUPAC Name: butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
• SMILES: CCC(C)[Si](C)(c1cc(C)cc([Si](C)(C)C)c1)C1(C)C=C(C)C(C)=C1C
• InChI: InChI=1S/C24H40Si2/c1-12-19(4)26(11,24(7)16-18(3)20(5)21(24)6)23-14-17(2)13-22(15-23)25(8,9)10/h13-16,19H,12H2,1-11H3
• InChIKey: XOQZYOUSBILOMH-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.76
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The IUPAC name of butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173473065) is butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

What is the SMILES notation for butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The canonical SMILES for butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CCC(C)[Si](C)(c1cc(C)cc([Si](C)(C)C)c1)C1(C)C=C(C)C(C)=C1C.

What is the InChIKey of butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The InChIKey is XOQZYOUSBILOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40Si2/c1-12-19(4)26(11,24(7)16-18(3)20(5)21(24)6)23-14-17(2)13-22(15-23)25(8,9)10/h13-16,19H,12H2,1-11H3.

What are the key properties of butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?

butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 384.76 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173473065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).