tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C23H40O5Si — CID 102155756

About tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 102155756) has the molecular formula C23H40O5Si and a molecular weight of 424.65 g/mol. Its IUPAC name is tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
• PubChem CID: 102155756
• Molecular Formula: C23H40O5Si
• Molecular Weight: 424.65 g/mol
• Exact Mass: 424.26
• IUPAC Name: tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
• SMILES: COc1cccc(C[C@@H](C[C@H]2OC(C)(C)O[C@@H]2CO[Si](C)(C)C(C)(C)C)OC)c1
• InChI: InChI=1S/C23H40O5Si/c1-22(2,3)29(8,9)26-16-21-20(27-23(4,5)28-21)15-19(25-7)14-17-11-10-12-18(13-17)24-6/h10-13,19-21H,14-16H2,1-9H3/t19-,20+,21+/m0/s1
• InChIKey: IRLLUXPNDUACAG-PWRODBHTSA-N
• XLogP: 5.18
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.65
LogP ≤ 5	5.18
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-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 102155756) is tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is COc1cccc(C[C@@H](C[C@H]2OC(C)(C)O[C@@H]2CO[Si](C)(C)C(C)(C)C)OC)c1.

What is the InChIKey of tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?

The InChIKey is IRLLUXPNDUACAG-PWRODBHTSA-N. The full InChI is InChI=1S/C23H40O5Si/c1-22(2,3)29(8,9)26-16-21-20(27-23(4,5)28-21)15-19(25-7)14-17-11-10-12-18(13-17)24-6/h10-13,19-21H,14-16H2,1-9H3/t19-,20+,21+/m0/s1.

What are the key properties of tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?

tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 424.65 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(4R,5R)-5-[(2S)-2-methoxy-3-(3-methoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 102155756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).