tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

C42H58O12Si — CID 173474089

About tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173474089) has the molecular formula C42H58O12Si and a molecular weight of 783.00 g/mol. Its IUPAC name is tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

• Compound Name: tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
• PubChem CID: 173474089
• Molecular Formula: C42H58O12Si
• Molecular Weight: 783.00 g/mol
• Exact Mass: 782.37
• IUPAC Name: tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
• SMILES: COc1c(C)c(OC)c([Si](c2c(OC)c(C)c(OC)c(OC)c2OC)(c2c(OC)c(C)c(OC)c(OC)c2OC)C2(C)C=C(C)C(C)=C2C)c(OC)c1OC
• InChI: InChI=1S/C42H58O12Si/c1-21-20-42(7,26(6)22(21)2)55(39-30(46-11)23(3)27(43-8)33(49-14)36(39)52-17,40-31(47-12)24(4)28(44-9)34(50-15)37(40)53-18)41-32(48-13)25(5)29(45-10)35(51-16)38(41)54-19/h20H,1-19H3
• InChIKey: VNAZZOSATWYQLK-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	783.00
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The IUPAC name of tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173474089) is tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

What is the SMILES notation for tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The canonical SMILES for tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is COc1c(C)c(OC)c([Si](c2c(OC)c(C)c(OC)c(OC)c2OC)(c2c(OC)c(C)c(OC)c(OC)c2OC)C2(C)C=C(C)C(C)=C2C)c(OC)c1OC.

What is the InChIKey of tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?

The InChIKey is VNAZZOSATWYQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H58O12Si/c1-21-20-42(7,26(6)22(21)2)55(39-30(46-11)23(3)27(43-8)33(49-14)36(39)52-17,40-31(47-12)24(4)28(44-9)34(50-15)37(40)53-18)41-32(48-13)25(5)29(45-10)35(51-16)38(41)54-19/h20H,1-19H3.

What are the key properties of tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?

tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 783.00 g/mol, XLogP of 6.24, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173474089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).