trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate

C15H30O8Si2 — CID 553555

IUPACtrimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate
SMILESCOC(=O)CC(O[Si](C)(C)C)(C(=O)OC)C(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C15H30O8Si2/c1-19-11(16)10-15(14(18)21-3,23-25(7,8)9)12(13(17)20-2)22-24(4,5)6/h12H,10H2,1-9H3
InChIKeyVYYBYZVMIPIIHT-UHFFFAOYSA-N
MW394.57 g/mol
LogP1.71
Rot. Bonds9

About trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate

trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate (PubChem CID 553555) has the molecular formula C15H30O8Si2 and a molecular weight of 394.57 g/mol. Its IUPAC name is trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametrimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate
PubChem CID553555
Molecular FormulaC15H30O8Si2
Molecular Weight394.57 g/mol
Exact Mass394.15
IUPAC Nametrimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate
SMILESCOC(=O)CC(O[Si](C)(C)C)(C(=O)OC)C(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C15H30O8Si2/c1-19-11(16)10-15(14(18)21-3,23-25(7,8)9)12(13(17)20-2)22-24(4,5)6/h12H,10H2,1-9H3
InChIKeyVYYBYZVMIPIIHT-UHFFFAOYSA-N
XLogP1.71
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate?
The IUPAC name of trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate (CID 553555) is trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate.
What is the SMILES notation for trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate?
The canonical SMILES for trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate is COC(=O)CC(O[Si](C)(C)C)(C(=O)OC)C(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate?
The InChIKey is VYYBYZVMIPIIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O8Si2/c1-19-11(16)10-15(14(18)21-3,23-25(7,8)9)12(13(17)20-2)22-24(4,5)6/h12H,10H2,1-9H3.
What are the key properties of trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate?
trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate has a molecular weight of 394.57 g/mol, XLogP of 1.71, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 1,2-bis(trimethylsilyloxy)propane-1,2,3-tricarboxylate is sourced from PubChem (CID 553555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).