[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone

C30H37NO2Si — CID 134887002

About [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone

[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 134887002) has the molecular formula C30H37NO2Si and a molecular weight of 471.72 g/mol. Its IUPAC name is [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

• Compound Name: [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
• PubChem CID: 134887002
• Molecular Formula: C30H37NO2Si
• Molecular Weight: 471.72 g/mol
• Exact Mass: 471.26
• IUPAC Name: [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
• SMILES: CC(C)(C)[Si](OCCC1(C(=O)N2CC=CCC2)C=CCC=C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H37NO2Si/c1-29(2,3)34(26-16-8-4-9-17-26,27-18-10-5-11-19-27)33-25-22-30(20-12-6-13-21-30)28(32)31-23-14-7-15-24-31/h4-5,7-14,16-21H,6,15,22-25H2,1-3H3
• InChIKey: FRTUKJFUSCBOSY-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.72
LogP ≤ 5	5.24
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]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?

The IUPAC name of [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 134887002) is [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone.

What is the SMILES notation for [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?

The canonical SMILES for [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone is CC(C)(C)[Si](OCCC1(C(=O)N2CC=CCC2)C=CCC=C1)(c1ccccc1)c1ccccc1.

What is the InChIKey of [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?

The InChIKey is FRTUKJFUSCBOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO2Si/c1-29(2,3)34(26-16-8-4-9-17-26,27-18-10-5-11-19-27)33-25-22-30(20-12-6-13-21-30)28(32)31-23-14-7-15-24-31/h4-5,7-14,16-21H,6,15,22-25H2,1-3H3.

What are the key properties of [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?

[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 471.72 g/mol, XLogP of 5.24, 7 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]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 134887002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).