tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate

C18H38O6Si3 — CID 553689

IUPACtris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate
SMILESCCCC(C(=O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H38O6Si3/c1-12-13-18(16(20)23-26(6,7)8,17(21)24-27(9,10)11)14(2)15(19)22-25(3,4)5/h14H,12-13H2,1-11H3
InChIKeyIAMOIIJUZUQMNM-UHFFFAOYSA-N
MW434.75 g/mol
LogP4.54
Rot. Bonds9

About tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate

tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate (PubChem CID 553689) has the molecular formula C18H38O6Si3 and a molecular weight of 434.75 g/mol. Its IUPAC name is tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate.

Molecular Properties

Compound Nametris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate
PubChem CID553689
Molecular FormulaC18H38O6Si3
Molecular Weight434.75 g/mol
Exact Mass434.20
IUPAC Nametris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate
SMILESCCCC(C(=O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H38O6Si3/c1-12-13-18(16(20)23-26(6,7)8,17(21)24-27(9,10)11)14(2)15(19)22-25(3,4)5/h14H,12-13H2,1-11H3
InChIKeyIAMOIIJUZUQMNM-UHFFFAOYSA-N
XLogP4.54
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.75
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate?
The IUPAC name of tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate (CID 553689) is tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate.
What is the SMILES notation for tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate?
The canonical SMILES for tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate is CCCC(C(=O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate?
The InChIKey is IAMOIIJUZUQMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O6Si3/c1-12-13-18(16(20)23-26(6,7)8,17(21)24-27(9,10)11)14(2)15(19)22-25(3,4)5/h14H,12-13H2,1-11H3.
What are the key properties of tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate?
tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate has a molecular weight of 434.75 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trimethylsilyl) 1-methylpentane-1,2,2-tricarboxylate is sourced from PubChem (CID 553689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).