tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane

C25H35NO4Si — CID 171049145

About tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane

tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane (PubChem CID 171049145) has the molecular formula C25H35NO4Si and a molecular weight of 441.64 g/mol. Its IUPAC name is tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane
• PubChem CID: 171049145
• Molecular Formula: C25H35NO4Si
• Molecular Weight: 441.64 g/mol
• Exact Mass: 441.23
• IUPAC Name: tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane
• SMILES: C=C(CO[Si](C)(C)C(C)(C)C)c1cncc(-c2ccc(OC)c3c2OCC(C)(C)O3)c1
• InChI: InChI=1S/C25H35NO4Si/c1-17(15-29-31(8,9)24(2,3)4)18-12-19(14-26-13-18)20-10-11-21(27-7)23-22(20)28-16-25(5,6)30-23/h10-14H,1,15-16H2,2-9H3
• InChIKey: HEYWALNKPOQOTE-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 49.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.64
LogP ≤ 5	6.34
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-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane (CID 171049145) is tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane is C=C(CO[Si](C)(C)C(C)(C)C)c1cncc(-c2ccc(OC)c3c2OCC(C)(C)O3)c1.

What is the InChIKey of tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane?

The InChIKey is HEYWALNKPOQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4Si/c1-17(15-29-31(8,9)24(2,3)4)18-12-19(14-26-13-18)20-10-11-21(27-7)23-22(20)28-16-25(5,6)30-23/h10-14H,1,15-16H2,2-9H3.

What are the key properties of tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane?

tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane has a molecular weight of 441.64 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[5-(5-methoxy-3,3-dimethyl-2H-1,4-benzodioxin-8-yl)-3-pyridinyl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 171049145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).