3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate

C32H66O9Si2 — CID 23527397

About 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate

3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate (PubChem CID 23527397) has the molecular formula C32H66O9Si2 and a molecular weight of 651.04 g/mol. Its IUPAC name is 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate.

Molecular Properties

• Compound Name: 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
• PubChem CID: 23527397
• Molecular Formula: C32H66O9Si2
• Molecular Weight: 651.04 g/mol
• Exact Mass: 650.42
• IUPAC Name: 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
• SMILES: CCCOCC(CC(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)CC(COCCC)OCC)OCC
• InChI: InChI=1S/C32H66O9Si2/c1-11-17-35-25-29(37-13-3)23-27(5)31(33)39-19-15-21-42(7,8)41-43(9,10)22-16-20-40-32(34)28(6)24-30(38-14-4)26-36-18-12-2/h27-30H,11-26H2,1-10H3
• InChIKey: KIMRCIPSFBIYLR-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 98.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 28
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.04
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?

The IUPAC name of 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate (CID 23527397) is 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate.

What is the SMILES notation for 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?

The canonical SMILES for 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate is CCCOCC(CC(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)CC(COCCC)OCC)OCC.

What is the InChIKey of 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?

The InChIKey is KIMRCIPSFBIYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66O9Si2/c1-11-17-35-25-29(37-13-3)23-27(5)31(33)39-19-15-21-42(7,8)41-43(9,10)22-16-20-40-32(34)28(6)24-30(38-14-4)26-36-18-12-2/h27-30H,11-26H2,1-10H3.

What are the key properties of 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate?

3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate has a molecular weight of 651.04 g/mol, XLogP of 7.00, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(4-ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate is sourced from PubChem (CID 23527397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).