tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane

C34H52O5Si2 — CID 154709452

About tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane (PubChem CID 154709452) has the molecular formula C34H52O5Si2 and a molecular weight of 596.96 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane
• PubChem CID: 154709452
• Molecular Formula: C34H52O5Si2
• Molecular Weight: 596.96 g/mol
• Exact Mass: 596.34
• IUPAC Name: tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane
• SMILES: COc1c(C[C@H](C)O[Si](C)(C)C(C)(C)C)cc(OC)c2c(OCc3ccccc3)cc(O[Si](C)(C)C(C)(C)C)cc12
• InChI: InChI=1S/C34H52O5Si2/c1-24(38-40(10,11)33(2,3)4)19-26-20-29(35-8)31-28(32(26)36-9)21-27(39-41(12,13)34(5,6)7)22-30(31)37-23-25-17-15-14-16-18-25/h14-18,20-22,24H,19,23H2,1-13H3/t24-/m0/s1
• InChIKey: BRIMMQDLXGEJPV-DEOSSOPVSA-N
• XLogP: 9.77
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.96
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane (CID 154709452) is tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane is COc1c(C[C@H](C)O[Si](C)(C)C(C)(C)C)cc(OC)c2c(OCc3ccccc3)cc(O[Si](C)(C)C(C)(C)C)cc12.

What is the InChIKey of tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane?

The InChIKey is BRIMMQDLXGEJPV-DEOSSOPVSA-N. The full InChI is InChI=1S/C34H52O5Si2/c1-24(38-40(10,11)33(2,3)4)19-26-20-29(35-8)31-28(32(26)36-9)21-27(39-41(12,13)34(5,6)7)22-30(31)37-23-25-17-15-14-16-18-25/h14-18,20-22,24H,19,23H2,1-13H3/t24-/m0/s1.

What are the key properties of tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane?

tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane has a molecular weight of 596.96 g/mol, XLogP of 9.77, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2S)-1-[7-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxy-5-phenylmethoxynaphthalen-2-yl]propan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 154709452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).