3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane

C20H36N2O2Si — CID 15484763

About 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane

3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane (PubChem CID 15484763) has the molecular formula C20H36N2O2Si and a molecular weight of 364.61 g/mol. Its IUPAC name is 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane.

Molecular Properties

• Compound Name: 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane
• PubChem CID: 15484763
• Molecular Formula: C20H36N2O2Si
• Molecular Weight: 364.61 g/mol
• Exact Mass: 364.25
• IUPAC Name: 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane
• SMILES: CCOC1=N[C@@H](C(C)C)C(OCC)=N[C@H]1CC#C[Si](CC)(CC)CC
• InChI: InChI=1S/C20H36N2O2Si/c1-8-23-19-17(14-13-15-25(10-3,11-4)12-5)21-20(24-9-2)18(22-19)16(6)7/h16-18H,8-12,14H2,1-7H3/t17-,18-/m0/s1
• InChIKey: GWCVAUZVNCCGIA-ROUUACIJSA-N
• XLogP: 4.70
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.61
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane?

The IUPAC name of 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane (CID 15484763) is 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane.

What is the SMILES notation for 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane?

The canonical SMILES for 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane is CCOC1=N[C@@H](C(C)C)C(OCC)=N[C@H]1CC#C[Si](CC)(CC)CC.

What is the InChIKey of 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane?

The InChIKey is GWCVAUZVNCCGIA-ROUUACIJSA-N. The full InChI is InChI=1S/C20H36N2O2Si/c1-8-23-19-17(14-13-15-25(10-3,11-4)12-5)21-20(24-9-2)18(22-19)16(6)7/h16-18H,8-12,14H2,1-7H3/t17-,18-/m0/s1.

What are the key properties of 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane?

3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane has a molecular weight of 364.61 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane is sourced from PubChem (CID 15484763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).