3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate

C23H44O9Si — CID 20678180

About 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate

3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate (PubChem CID 20678180) has the molecular formula C23H44O9Si and a molecular weight of 492.68 g/mol. Its IUPAC name is 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate.

Molecular Properties

• Compound Name: 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
• PubChem CID: 20678180
• Molecular Formula: C23H44O9Si
• Molecular Weight: 492.68 g/mol
• Exact Mass: 492.28
• IUPAC Name: 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
• SMILES: CCC(C)(CC(C)(CC(C)(C)C(=O)OCCO)C(=O)OCCC[Si](C)(OC)OC)C(=O)OC
• InChI: InChI=1S/C23H44O9Si/c1-10-22(4,19(26)28-6)17-23(5,16-21(2,3)18(25)32-14-12-24)20(27)31-13-11-15-33(9,29-7)30-8/h24H,10-17H2,1-9H3
• InChIKey: CNXCGFWQYYEDRT-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 117.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.68
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate?

The IUPAC name of 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate (CID 20678180) is 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate.

What is the SMILES notation for 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate?

The canonical SMILES for 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate is CCC(C)(CC(C)(CC(C)(C)C(=O)OCCO)C(=O)OCCC[Si](C)(OC)OC)C(=O)OC.

What is the InChIKey of 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate?

The InChIKey is CNXCGFWQYYEDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O9Si/c1-10-22(4,19(26)28-6)17-23(5,16-21(2,3)18(25)32-14-12-24)20(27)31-13-11-15-33(9,29-7)30-8/h24H,10-17H2,1-9H3.

What are the key properties of 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate?

3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate has a molecular weight of 492.68 g/mol, XLogP of 3.22, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-O-[3-[dimethoxy(methyl)silyl]propyl] 1-O-(2-hydroxyethyl) 5-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate is sourced from PubChem (CID 20678180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).