(1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol

C26H42N2O2Si — CID 139262035

About (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol

(1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol (PubChem CID 139262035) has the molecular formula C26H42N2O2Si and a molecular weight of 442.72 g/mol. Its IUPAC name is (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

• Compound Name: (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol
• PubChem CID: 139262035
• Molecular Formula: C26H42N2O2Si
• Molecular Weight: 442.72 g/mol
• Exact Mass: 442.30
• IUPAC Name: (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol
• SMILES: CC(C)(C)[C@H](O)c1cccc(-c2cccc([C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C)n2)n1
• InChI: InChI=1S/C26H42N2O2Si/c1-24(2,3)22(29)20-16-12-14-18(27-20)19-15-13-17-21(28-19)23(25(4,5)6)30-31(10,11)26(7,8)9/h12-17,22-23,29H,1-11H3/t22-,23-/m1/s1
• InChIKey: MLXYBRIZMXEUCH-DHIUTWEWSA-N
• XLogP: 7.33
• TPSA: 55.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.72
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol?

The IUPAC name of (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol (CID 139262035) is (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol.

What is the SMILES notation for (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol?

The canonical SMILES for (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol is CC(C)(C)[C@H](O)c1cccc(-c2cccc([C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C)n2)n1.

What is the InChIKey of (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol?

The InChIKey is MLXYBRIZMXEUCH-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H42N2O2Si/c1-24(2,3)22(29)20-16-12-14-18(27-20)19-15-13-17-21(28-19)23(25(4,5)6)30-31(10,11)26(7,8)9/h12-17,22-23,29H,1-11H3/t22-,23-/m1/s1.

What are the key properties of (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol?

(1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol has a molecular weight of 442.72 g/mol, XLogP of 7.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[6-[6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-2-pyridinyl]-2-pyridinyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 139262035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).