tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate

C18H40O7Si4 — CID 528659

IUPACtris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate
SMILESC[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-14(17(20)24-28(7,8)9)16(23-27(4,5)6)18(21)25-29(10,11)12/h14,16H,13H2,1-12H3
InChIKeyQMCRZQSRNUSJRR-UHFFFAOYSA-N
MW480.86 g/mol
LogP4.35
Rot. Bonds10

About tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate

tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate (PubChem CID 528659) has the molecular formula C18H40O7Si4 and a molecular weight of 480.86 g/mol. Its IUPAC name is tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate
PubChem CID528659
Molecular FormulaC18H40O7Si4
Molecular Weight480.86 g/mol
Exact Mass480.19
IUPAC Nametris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate
SMILESC[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-14(17(20)24-28(7,8)9)16(23-27(4,5)6)18(21)25-29(10,11)12/h14,16H,13H2,1-12H3
InChIKeyQMCRZQSRNUSJRR-UHFFFAOYSA-N
XLogP4.35
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.86
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate?
The IUPAC name of tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate (CID 528659) is tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate?
The canonical SMILES for tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate is C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate?
The InChIKey is QMCRZQSRNUSJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-14(17(20)24-28(7,8)9)16(23-27(4,5)6)18(21)25-29(10,11)12/h14,16H,13H2,1-12H3.
What are the key properties of tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate?
tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate has a molecular weight of 480.86 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trimethylsilyl) 1-trimethylsilyloxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 528659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).