1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide

C₃₇H₄₇NO₂Si₂ — CID 11342364

About 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide

1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide (PubChem CID 11342364) has the molecular formula C₃₇H₄₇NO₂Si₂ and a molecular weight of 593.96 g/mol. Its IUPAC name is 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide
• PubChem CID: 11342364
• Molecular Formula: C₃₇H₄₇NO₂Si₂
• Molecular Weight: 593.96 g/mol
• Exact Mass: 593.31
• IUPAC Name: 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide
• SMILES: CN(C/C=C\[Si](C)(C)c1ccccc1)C(=O)C1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CCC=C1
• InChI: InChI=1S/C37H47NO2Si2/c1-36(2,3)42(33-22-13-8-14-23-33,34-24-15-9-16-25-34)40-30-28-37(26-17-10-18-27-37)35(39)38(4)29-19-31-41(5,6)32-20-11-7-12-21-32/h7-9,11-27,31H,10,28-30H2,1-6H3/b31-19-
• InChIKey: HHUZLVFLHQFCTF-DXJNIWACSA-N
• XLogP: 6.62
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.96
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide?

The IUPAC name of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide (CID 11342364) is 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide.

What is the SMILES notation for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide?

The canonical SMILES for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide is CN(C/C=C\[Si](C)(C)c1ccccc1)C(=O)C1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CCC=C1.

What is the InChIKey of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide?

The InChIKey is HHUZLVFLHQFCTF-DXJNIWACSA-N. The full InChI is InChI=1S/C37H47NO2Si2/c1-36(2,3)42(33-22-13-8-14-23-33,34-24-15-9-16-25-34)40-30-28-37(26-17-10-18-27-37)35(39)38(4)29-19-31-41(5,6)32-20-11-7-12-21-32/h7-9,11-27,31H,10,28-30H2,1-6H3/b31-19-.

What are the key properties of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide?

1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide has a molecular weight of 593.96 g/mol, XLogP of 6.62, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide is sourced from PubChem (CID 11342364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11342364 — identifiers, structure, computed properties (public domain)

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