6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde

C22H29NO4Si — CID 174029046

About 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde

6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde (PubChem CID 174029046) has the molecular formula C22H29NO4Si and a molecular weight of 399.56 g/mol. Its IUPAC name is 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
• PubChem CID: 174029046
• Molecular Formula: C22H29NO4Si
• Molecular Weight: 399.56 g/mol
• Exact Mass: 399.19
• IUPAC Name: 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
• SMILES: COc1nc(O[C@H]2CCc3c(O[Si](C)(C)C(C)(C)C)cccc32)ccc1C=O
• InChI: InChI=1S/C22H29NO4Si/c1-22(2,3)28(5,6)27-19-9-7-8-16-17(19)11-12-18(16)26-20-13-10-15(14-24)21(23-20)25-4/h7-10,13-14,18H,11-12H2,1-6H3/t18-/m0/s1
• InChIKey: FNROSFGRHYGWNL-SFHVURJKSA-N
• XLogP: 5.35
• TPSA: 57.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.56
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

The IUPAC name of 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde (CID 174029046) is 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde.

What is the SMILES notation for 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

The canonical SMILES for 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde is COc1nc(O[C@H]2CCc3c(O[Si](C)(C)C(C)(C)C)cccc32)ccc1C=O.

What is the InChIKey of 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

The InChIKey is FNROSFGRHYGWNL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29NO4Si/c1-22(2,3)28(5,6)27-19-9-7-8-16-17(19)11-12-18(16)26-20-13-10-15(14-24)21(23-20)25-4/h7-10,13-14,18H,11-12H2,1-6H3/t18-/m0/s1.

What are the key properties of 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 399.56 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 174029046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).