tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate

C28H34O8Si2 — CID 177480244

About tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate

tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate (PubChem CID 177480244) has the molecular formula C28H34O8Si2 and a molecular weight of 554.74 g/mol. Its IUPAC name is tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate.

Molecular Properties

• Compound Name: tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate
• PubChem CID: 177480244
• Molecular Formula: C28H34O8Si2
• Molecular Weight: 554.74 g/mol
• Exact Mass: 554.18
• IUPAC Name: tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate
• SMILES: COC(=O)C(=C(/C(=O)OC)[Si](C)(C)c1ccccc1)/C(C(=O)OC)=C(/C(=O)OC)[Si](C)(C)c1ccccc1
• InChI: InChI=1S/C28H34O8Si2/c1-33-25(29)21(23(27(31)35-3)37(5,6)19-15-11-9-12-16-19)22(26(30)34-2)24(28(32)36-4)38(7,8)20-17-13-10-14-18-20/h9-18H,1-8H3/b23-21-,24-22+
• InChIKey: FLFYTOWVQFNZJX-MMUCEYJRSA-N
• XLogP: 2.58
• TPSA: 105.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.74
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate?

The IUPAC name of tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate (CID 177480244) is tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate.

What is the SMILES notation for tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate?

The canonical SMILES for tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate is COC(=O)C(=C(/C(=O)OC)[Si](C)(C)c1ccccc1)/C(C(=O)OC)=C(/C(=O)OC)[Si](C)(C)c1ccccc1.

What is the InChIKey of tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate?

The InChIKey is FLFYTOWVQFNZJX-MMUCEYJRSA-N. The full InChI is InChI=1S/C28H34O8Si2/c1-33-25(29)21(23(27(31)35-3)37(5,6)19-15-11-9-12-16-19)22(26(30)34-2)24(28(32)36-4)38(7,8)20-17-13-10-14-18-20/h9-18H,1-8H3/b23-21-,24-22+.

What are the key properties of tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate?

tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate has a molecular weight of 554.74 g/mol, XLogP of 2.58, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tetramethyl (1Z,3E)-1,4-bis[dimethyl(phenyl)silyl]buta-1,3-diene-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 177480244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).