ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate

C33H64O12Si2 — CID 59918635

About ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate

ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate (PubChem CID 59918635) has the molecular formula C33H64O12Si2 and a molecular weight of 709.03 g/mol. Its IUPAC name is ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate.

Molecular Properties

• Compound Name: ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate
• PubChem CID: 59918635
• Molecular Formula: C33H64O12Si2
• Molecular Weight: 709.03 g/mol
• Exact Mass: 708.39
• IUPAC Name: ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate
• SMILES: CCOC(=O)C(CCC(CCC(C)OC(=O)CCCC[Si](C)(OC)OC)OC(=O)CC)CC(C)OC(=O)CCCC[Si](C)(OC)OC
• InChI: InChI=1S/C33H64O12Si2/c1-11-30(34)45-29(21-19-26(3)43-31(35)17-13-15-23-46(9,38-5)39-6)22-20-28(33(37)42-12-2)25-27(4)44-32(36)18-14-16-24-47(10,40-7)41-8/h26-29H,11-25H2,1-10H3
• InChIKey: NMVZCCRGXVZKKB-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 142.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 28
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	709.03
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate?

The IUPAC name of ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate (CID 59918635) is ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate.

What is the SMILES notation for ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate?

The canonical SMILES for ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate is CCOC(=O)C(CCC(CCC(C)OC(=O)CCCC[Si](C)(OC)OC)OC(=O)CC)CC(C)OC(=O)CCCC[Si](C)(OC)OC.

What is the InChIKey of ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate?

The InChIKey is NMVZCCRGXVZKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64O12Si2/c1-11-30(34)45-29(21-19-26(3)43-31(35)17-13-15-23-46(9,38-5)39-6)22-20-28(33(37)42-12-2)25-27(4)44-32(36)18-14-16-24-47(10,40-7)41-8/h26-29H,11-25H2,1-10H3.

What are the key properties of ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate?

ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate has a molecular weight of 709.03 g/mol, XLogP of 6.37, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 8-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxynonanoate is sourced from PubChem (CID 59918635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).