tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane

C29H43FO2Si — CID 21133257

About tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane

tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane (PubChem CID 21133257) has the molecular formula C29H43FO2Si and a molecular weight of 470.75 g/mol. Its IUPAC name is tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane
• PubChem CID: 21133257
• Molecular Formula: C29H43FO2Si
• Molecular Weight: 470.75 g/mol
• Exact Mass: 470.30
• IUPAC Name: tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane
• SMILES: COCc1c(C(C)C)cc2c(c1-c1ccc(F)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
• InChI: InChI=1S/C29H43FO2Si/c1-19(2)23-15-21-16-29(6,7)17-25(32-33(9,10)28(3,4)5)27(21)26(24(23)18-31-8)20-11-13-22(30)14-12-20/h11-15,19,25H,16-18H2,1-10H3
• InChIKey: UCBDEVQXJPSXDF-UHFFFAOYSA-N
• XLogP: 8.80
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.75
LogP ≤ 5	8.80
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-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane (CID 21133257) is tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane is COCc1c(C(C)C)cc2c(c1-c1ccc(F)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2.

What is the InChIKey of tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane?

The InChIKey is UCBDEVQXJPSXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43FO2Si/c1-19(2)23-15-21-16-29(6,7)17-25(32-33(9,10)28(3,4)5)27(21)26(24(23)18-31-8)20-11-13-22(30)14-12-20/h11-15,19,25H,16-18H2,1-10H3.

What are the key properties of tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane?

tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane has a molecular weight of 470.75 g/mol, XLogP of 8.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[8-(4-fluorophenyl)-7-(methoxymethyl)-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalen-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 21133257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).