tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane

C21H36O2Si — CID 172571323

About tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane

tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane (PubChem CID 172571323) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane
• PubChem CID: 172571323
• Molecular Formula: C21H36O2Si
• Molecular Weight: 348.60 g/mol
• Exact Mass: 348.25
• IUPAC Name: tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane
• SMILES: CC(C)[C@]12C[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C)(C=C1C1=CCCC1)O2
• InChI: InChI=1S/C21H36O2Si/c1-15(2)21-14-18(22-24(7,8)19(3,4)5)20(6,23-21)13-17(21)16-11-9-10-12-16/h11,13,15,18H,9-10,12,14H2,1-8H3/t18-,20+,21-/m1/s1
• InChIKey: AZDZHQAJDDQHCN-HLAWJBBLSA-N
• XLogP: 6.00
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	348.60
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane (CID 172571323) is tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane is CC(C)[C@]12C[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C)(C=C1C1=CCCC1)O2.

What is the InChIKey of tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane?

The InChIKey is AZDZHQAJDDQHCN-HLAWJBBLSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-15(2)21-14-18(22-24(7,8)19(3,4)5)20(6,23-21)13-17(21)16-11-9-10-12-16/h11,13,15,18H,9-10,12,14H2,1-8H3/t18-,20+,21-/m1/s1.

What are the key properties of tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane?

tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane has a molecular weight of 348.60 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane is sourced from PubChem (CID 172571323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).