2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid

C24H48O10Si4 — CID 58811157

IUPAC2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1C(=O)OC(=O)C1C(C)(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H48O10Si4/c1-23(2,21(27)28)17-18(20(26)31-19(17)25)24(3,4)22(29)30-15-14-16-38(32-35(5,6)7,33-36(8,9)10)34-37(11,12)13/h17-18H,14-16H2,1-13H3,(H,27,28)
InChIKeyWQXWTODKWKYOTD-UHFFFAOYSA-N
MW608.98 g/mol
LogP4.87
Rot. Bonds14

About 2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid

2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid (PubChem CID 58811157) has the molecular formula C24H48O10Si4 and a molecular weight of 608.98 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid
PubChem CID58811157
Molecular FormulaC24H48O10Si4
Molecular Weight608.98 g/mol
Exact Mass608.23
IUPAC Name2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1C(=O)OC(=O)C1C(C)(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H48O10Si4/c1-23(2,21(27)28)17-18(20(26)31-19(17)25)24(3,4)22(29)30-15-14-16-38(32-35(5,6)7,33-36(8,9)10)34-37(11,12)13/h17-18H,14-16H2,1-13H3,(H,27,28)
InChIKeyWQXWTODKWKYOTD-UHFFFAOYSA-N
XLogP4.87
TPSA134.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.98
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid (CID 58811157) is 2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid is CC(C)(C(=O)O)C1C(=O)OC(=O)C1C(C)(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid?
The InChIKey is WQXWTODKWKYOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O10Si4/c1-23(2,21(27)28)17-18(20(26)31-19(17)25)24(3,4)22(29)30-15-14-16-38(32-35(5,6)7,33-36(8,9)10)34-37(11,12)13/h17-18H,14-16H2,1-13H3,(H,27,28).
What are the key properties of 2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid?
2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid has a molecular weight of 608.98 g/mol, XLogP of 4.87, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-methyl-1-oxo-1-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl]-2,5-dioxooxolan-3-yl]propanoic acid is sourced from PubChem (CID 58811157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).