tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate

C15H30O6Si3 — CID 521697

IUPACtris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate
SMILESC[Si](C)(C)OC(=O)C=C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H30O6Si3/c1-22(2,3)19-13(16)10-12(15(18)21-24(7,8)9)11-14(17)20-23(4,5)6/h10H,11H2,1-9H3
InChIKeyRHDPKJMZPKZKTA-UHFFFAOYSA-N
MW390.66 g/mol
LogP3.44
Rot. Bonds7

About tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate

tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate (PubChem CID 521697) has the molecular formula C15H30O6Si3 and a molecular weight of 390.66 g/mol. Its IUPAC name is tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate
PubChem CID521697
Molecular FormulaC15H30O6Si3
Molecular Weight390.66 g/mol
Exact Mass390.14
IUPAC Nametris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate
SMILESC[Si](C)(C)OC(=O)C=C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H30O6Si3/c1-22(2,3)19-13(16)10-12(15(18)21-24(7,8)9)11-14(17)20-23(4,5)6/h10H,11H2,1-9H3
InChIKeyRHDPKJMZPKZKTA-UHFFFAOYSA-N
XLogP3.44
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Bis(trimethylsilyl) itaconate
CID 521622
Aconitic acid, TMS
CID 5366595
1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (E)-
CID 5352948
2-Methylglutaconic acid, bis(trimethylsilyl) ester
CID 5353249
3-Methylglutaconic acid, bis(trimethylsilyl) ester
CID 5366596
Aconitic acid, (Z)-, 3TBDMS derivative
CID 5379962
Aconitic acid, (E)-, 3TBDMS derivative
CID 20831117
2-Pentenedioic acid, 3-methyl-, bis(trimethylsilyl) ester, (Z)-
CID 5366597
2-Pentenedioic acid, 3-methyl-, bis(tert-butyldimethylsilyl) ester
CID 5366777
2-Pentenedioic acid, 2-methyl-, bis(tert-butyldimethylsilyl) ester
CID 5366778
(Z)-2-Methylglutaconic acid, di-TMS
CID 5372905
3-Trimethylsilyloxycarbonylpent-3-enoic acid
CID 53943101

Frequently Asked Questions

What is the IUPAC name of tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate?
The IUPAC name of tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate (CID 521697) is tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate.
What is the SMILES notation for tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate?
The canonical SMILES for tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate is C[Si](C)(C)OC(=O)C=C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate?
The InChIKey is RHDPKJMZPKZKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6Si3/c1-22(2,3)19-13(16)10-12(15(18)21-24(7,8)9)11-14(17)20-23(4,5)6/h10H,11H2,1-9H3.
What are the key properties of tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate?
tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate has a molecular weight of 390.66 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trimethylsilyl) prop-1-ene-1,2,3-tricarboxylate is sourced from PubChem (CID 521697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).