(10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal

C35H45NO2Si — CID 173113958

About (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal

(10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal (PubChem CID 173113958) has the molecular formula C35H45NO2Si and a molecular weight of 539.84 g/mol. Its IUPAC name is (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal.

Molecular Properties

• Compound Name: (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal
• PubChem CID: 173113958
• Molecular Formula: C35H45NO2Si
• Molecular Weight: 539.84 g/mol
• Exact Mass: 539.32
• IUPAC Name: (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal
• SMILES: CC(=CCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)/C(C)=C/c1ccccn1)CCCC(C)C=O
• InChI: InChI=1S/C35H45NO2Si/c1-28(16-15-17-29(2)27-37)23-24-34(30(3)26-31-18-13-14-25-36-31)38-39(35(4,5)6,32-19-9-7-10-20-32)33-21-11-8-12-22-33/h7-14,18-23,25-27,29,34H,15-17,24H2,1-6H3/b28-23?,30-26+
• InChIKey: ZCFPCSAJLUBYSD-XAFYOCOZSA-N
• XLogP: 7.77
• TPSA: 39.19 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.84
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal?

The IUPAC name of (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal (CID 173113958) is (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal.

What is the SMILES notation for (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal?

The canonical SMILES for (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal is CC(=CCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)/C(C)=C/c1ccccn1)CCCC(C)C=O.

What is the InChIKey of (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal?

The InChIKey is ZCFPCSAJLUBYSD-XAFYOCOZSA-N. The full InChI is InChI=1S/C35H45NO2Si/c1-28(16-15-17-29(2)27-37)23-24-34(30(3)26-31-18-13-14-25-36-31)38-39(35(4,5)6,32-19-9-7-10-20-32)33-21-11-8-12-22-33/h7-14,18-23,25-27,29,34H,15-17,24H2,1-6H3/b28-23?,30-26+.

What are the key properties of (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal?

(10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal has a molecular weight of 539.84 g/mol, XLogP of 7.77, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (10E)-9-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-11-pyridin-2-ylundeca-6,10-dienal is sourced from PubChem (CID 173113958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).