methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate

C34H45NO5Si — CID 11169132

About methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate

methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11169132) has the molecular formula C34H45NO5Si and a molecular weight of 575.82 g/mol. Its IUPAC name is methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 11169132
• Molecular Formula: C34H45NO5Si
• Molecular Weight: 575.82 g/mol
• Exact Mass: 575.31
• IUPAC Name: methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate
• SMILES: CC[C@@H]1CC=C(C#CCOC2CCCCO2)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C34H45NO5Si/c1-6-27-22-23-28(16-15-25-39-32-21-13-14-24-38-32)35(33(36)37-5)31(27)26-40-41(34(2,3)4,29-17-9-7-10-18-29)30-19-11-8-12-20-30/h7-12,17-20,23,27,31-32H,6,13-14,21-22,24-26H2,1-5H3/t27-,31-,32?/m1/s1
• InChIKey: FFVGHOGEFJHUFV-DUARTULOSA-N
• XLogP: 5.86
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.82
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 11169132) is methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate is CC[C@@H]1CC=C(C#CCOC2CCCCO2)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is FFVGHOGEFJHUFV-DUARTULOSA-N. The full InChI is InChI=1S/C34H45NO5Si/c1-6-27-22-23-28(16-15-25-39-32-21-13-14-24-38-32)35(33(36)37-5)31(27)26-40-41(34(2,3)4,29-17-9-7-10-18-29)30-19-11-8-12-20-30/h7-12,17-20,23,27,31-32H,6,13-14,21-22,24-26H2,1-5H3/t27-,31-,32?/m1/s1.

What are the key properties of methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate?

methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 575.82 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11169132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).