tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane

C21H42O2Si2 — CID 11003486

About tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane

tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane (PubChem CID 11003486) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane
• PubChem CID: 11003486
• Molecular Formula: C21H42O2Si2
• Molecular Weight: 382.74 g/mol
• Exact Mass: 382.27
• IUPAC Name: tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2C=C[C@H]1C2
• InChI: InChI=1S/C21H42O2Si2/c1-20(2,3)24(7,8)22-14-18-16-11-12-17(13-16)19(18)15-23-25(9,10)21(4,5)6/h11-12,16-19H,13-15H2,1-10H3/t16-,17+,18-,19+
• InChIKey: SQCYHCCJSARFHG-QGFMHUBQSA-N
• XLogP: 6.47
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.74
LogP ≤ 5	6.47
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 tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane (CID 11003486) is tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2C=C[C@H]1C2.

What is the InChIKey of tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane?

The InChIKey is SQCYHCCJSARFHG-QGFMHUBQSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-20(2,3)24(7,8)22-14-18-16-11-12-17(13-16)19(18)15-23-25(9,10)21(4,5)6/h11-12,16-19H,13-15H2,1-10H3/t16-,17+,18-,19+.

What are the key properties of tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane?

tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane has a molecular weight of 382.74 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane is sourced from PubChem (CID 11003486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).