tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane

C25H40OSi — CID 139965271

About tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane

tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane (PubChem CID 139965271) has the molecular formula C25H40OSi and a molecular weight of 384.68 g/mol. Its IUPAC name is tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane
• PubChem CID: 139965271
• Molecular Formula: C25H40OSi
• Molecular Weight: 384.68 g/mol
• Exact Mass: 384.28
• IUPAC Name: tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane
• SMILES: COc1c(CCC2=C(C)C(C)=C(C)C2C)cc(C)cc1[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H40OSi/c1-16-14-21(12-13-22-19(4)17(2)18(3)20(22)5)24(26-9)23(15-16)27(10,11)25(6,7)8/h14-15,19H,12-13H2,1-11H3
• InChIKey: RFJXGKUDRIMRQW-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.68
LogP ≤ 5	6.95
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 tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane?

The IUPAC name of tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane (CID 139965271) is tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane.

What is the SMILES notation for tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane?

The canonical SMILES for tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane is COc1c(CCC2=C(C)C(C)=C(C)C2C)cc(C)cc1[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane?

The InChIKey is RFJXGKUDRIMRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40OSi/c1-16-14-21(12-13-22-19(4)17(2)18(3)20(22)5)24(26-9)23(15-16)27(10,11)25(6,7)8/h14-15,19H,12-13H2,1-11H3.

What are the key properties of tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane?

tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane has a molecular weight of 384.68 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-methoxy-5-methyl-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]phenyl]-dimethylsilane is sourced from PubChem (CID 139965271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).