4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one

C32H41NO2Si — CID 18682918

About 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one

4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one (PubChem CID 18682918) has the molecular formula C32H41NO2Si and a molecular weight of 499.77 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one
• PubChem CID: 18682918
• Molecular Formula: C32H41NO2Si
• Molecular Weight: 499.77 g/mol
• Exact Mass: 499.29
• IUPAC Name: 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one
• SMILES: CN(C)[C@@H]1CCc2cccc(C(=O)CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2C1
• InChI: InChI=1S/C32H41NO2Si/c1-32(2,3)36(27-15-8-6-9-16-27,28-17-10-7-11-18-28)35-23-13-20-31(34)29-19-12-14-25-21-22-26(33(4)5)24-30(25)29/h6-12,14-19,26H,13,20-24H2,1-5H3/t26-/m1/s1
• InChIKey: PTXXWMQMCOXSIR-AREMUKBSSA-N
• XLogP: 5.64
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.77
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one?

The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one (CID 18682918) is 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one.

What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one?

The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one is CN(C)[C@@H]1CCc2cccc(C(=O)CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2C1.

What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one?

The InChIKey is PTXXWMQMCOXSIR-AREMUKBSSA-N. The full InChI is InChI=1S/C32H41NO2Si/c1-32(2,3)36(27-15-8-6-9-16-27,28-17-10-7-11-18-28)35-23-13-20-31(34)29-19-12-14-25-21-22-26(33(4)5)24-30(25)29/h6-12,14-19,26H,13,20-24H2,1-5H3/t26-/m1/s1.

What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one?

4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one has a molecular weight of 499.77 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[tert-butyl(diphenyl)silyl]oxy-1-[(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-1-one is sourced from PubChem (CID 18682918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).