tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane

C20H42O3Si2 — CID 11143544

About tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane

tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane (PubChem CID 11143544) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane
• PubChem CID: 11143544
• Molecular Formula: C20H42O3Si2
• Molecular Weight: 386.73 g/mol
• Exact Mass: 386.27
• IUPAC Name: tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1OCC/C=C\C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-16-18-17(14-12-11-13-15-21-18)23-25(9,10)20(4,5)6/h11-12,17-18H,13-16H2,1-10H3/b12-11-/t17-,18-/m0/s1
• InChIKey: BJXZPPFJXHVICB-NJYOSPNCSA-N
• XLogP: 6.13
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.73
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane (CID 11143544) is tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1OCC/C=C\C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane?

The InChIKey is BJXZPPFJXHVICB-NJYOSPNCSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-16-18-17(14-12-11-13-15-21-18)23-25(9,10)20(4,5)6/h11-12,17-18H,13-16H2,1-10H3/b12-11-/t17-,18-/m0/s1.

What are the key properties of tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane?

tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane has a molecular weight of 386.73 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2S,3S,5Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11143544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).