[2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate

C25H46O5Si2 — CID 123161647

About [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate

[2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate (PubChem CID 123161647) has the molecular formula C25H46O5Si2 and a molecular weight of 482.81 g/mol. Its IUPAC name is [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate.

Molecular Properties

• Compound Name: [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate
• PubChem CID: 123161647
• Molecular Formula: C25H46O5Si2
• Molecular Weight: 482.81 g/mol
• Exact Mass: 482.29
• IUPAC Name: [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate
• SMILES: CCCC(=O)Oc1ccc(CCC[Si](C)(C)C(C)(C)O[Si](C)(C)C(C)(C)OC)cc1OC
• InChI: InChI=1S/C25H46O5Si2/c1-12-14-23(26)29-21-17-16-20(19-22(21)27-6)15-13-18-31(8,9)25(4,5)30-32(10,11)24(2,3)28-7/h16-17,19H,12-15,18H2,1-11H3
• InChIKey: INXBWWJUDYGCQP-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.81
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate?

The IUPAC name of [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate (CID 123161647) is [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate.

What is the SMILES notation for [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate?

The canonical SMILES for [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate is CCCC(=O)Oc1ccc(CCC[Si](C)(C)C(C)(C)O[Si](C)(C)C(C)(C)OC)cc1OC.

What is the InChIKey of [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate?

The InChIKey is INXBWWJUDYGCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O5Si2/c1-12-14-23(26)29-21-17-16-20(19-22(21)27-6)15-13-18-31(8,9)25(4,5)30-32(10,11)24(2,3)28-7/h16-17,19H,12-15,18H2,1-11H3.

What are the key properties of [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate?

[2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate has a molecular weight of 482.81 g/mol, XLogP of 6.55, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methoxy-4-[3-[2-[2-methoxypropan-2-yl(dimethyl)silyl]oxypropan-2-yl-dimethylsilyl]propyl]phenyl] butanoate is sourced from PubChem (CID 123161647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).