2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol

C32H46O3Si — CID 67065181

About 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol

2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol (PubChem CID 67065181) has the molecular formula C32H46O3Si and a molecular weight of 506.80 g/mol. Its IUPAC name is 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol
• PubChem CID: 67065181
• Molecular Formula: C32H46O3Si
• Molecular Weight: 506.80 g/mol
• Exact Mass: 506.32
• IUPAC Name: 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol
• SMILES: CCC(CC)(c1ccc(O[Si](C)(C)C(C)(C)C)c(C)c1)c1ccc(-c2ccc(C(C)(C)O)o2)c(C)c1
• InChI: InChI=1S/C32H46O3Si/c1-12-32(13-2,25-15-17-27(23(4)21-25)35-36(10,11)30(5,6)7)24-14-16-26(22(3)20-24)28-18-19-29(34-28)31(8,9)33/h14-21,33H,12-13H2,1-11H3
• InChIKey: YKFAPRIMGPKOQL-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 42.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.80
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol?

The IUPAC name of 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol (CID 67065181) is 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol.

What is the SMILES notation for 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol?

The canonical SMILES for 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol is CCC(CC)(c1ccc(O[Si](C)(C)C(C)(C)C)c(C)c1)c1ccc(-c2ccc(C(C)(C)O)o2)c(C)c1.

What is the InChIKey of 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol?

The InChIKey is YKFAPRIMGPKOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46O3Si/c1-12-32(13-2,25-15-17-27(23(4)21-25)35-36(10,11)30(5,6)7)24-14-16-26(22(3)20-24)28-18-19-29(34-28)31(8,9)33/h14-21,33H,12-13H2,1-11H3.

What are the key properties of 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol?

2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol has a molecular weight of 506.80 g/mol, XLogP of 9.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-[3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methylphenyl]pentan-3-yl]-2-methylphenyl]furan-2-yl]propan-2-ol is sourced from PubChem (CID 67065181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).