ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate

C34H43NO3Si — CID 68768815

About ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate

ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate (PubChem CID 68768815) has the molecular formula C34H43NO3Si and a molecular weight of 541.81 g/mol. Its IUPAC name is ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate
• PubChem CID: 68768815
• Molecular Formula: C34H43NO3Si
• Molecular Weight: 541.81 g/mol
• Exact Mass: 541.30
• IUPAC Name: ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate
• SMILES: CCOC(=O)/C=C1/CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C34H43NO3Si/c1-7-37-32(36)25-27-26-35(24-23-31(27)38-39(5,6)33(2,3)4)34(28-17-11-8-12-18-28,29-19-13-9-14-20-29)30-21-15-10-16-22-30/h8-22,25,31H,7,23-24,26H2,1-6H3/b27-25-
• InChIKey: IYDCHCKCBXGBLK-RFBIWTDZSA-N
• XLogP: 7.56
• TPSA: 38.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.81
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate?

The IUPAC name of ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate (CID 68768815) is ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate.

What is the SMILES notation for ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate is CCOC(=O)/C=C1/CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate?

The InChIKey is IYDCHCKCBXGBLK-RFBIWTDZSA-N. The full InChI is InChI=1S/C34H43NO3Si/c1-7-37-32(36)25-27-26-35(24-23-31(27)38-39(5,6)33(2,3)4)34(28-17-11-8-12-18-28,29-19-13-9-14-20-29)30-21-15-10-16-22-30/h8-22,25,31H,7,23-24,26H2,1-6H3/b27-25-.

What are the key properties of ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate?

ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate has a molecular weight of 541.81 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate is sourced from PubChem (CID 68768815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).