2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid

C18H40O7Si4 — CID 22214264

IUPAC2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid
SMILESC[Si](C)(C)C(C(=O)O)(C(O)(C(=O)O)C(C(=O)O)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H40O7Si4/c1-26(2,3)17(14(21)22,27(4,5)6)16(25,13(19)20)18(15(23)24,28(7,8)9)29(10,11)12/h25H,1-12H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyUTVKVESZBOPBBC-UHFFFAOYSA-N
MW480.86 g/mol
LogP3.88
Rot. Bonds9

About 2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid

2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid (PubChem CID 22214264) has the molecular formula C18H40O7Si4 and a molecular weight of 480.86 g/mol. Its IUPAC name is 2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid
PubChem CID22214264
Molecular FormulaC18H40O7Si4
Molecular Weight480.86 g/mol
Exact Mass480.19
IUPAC Name2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid
SMILESC[Si](C)(C)C(C(=O)O)(C(O)(C(=O)O)C(C(=O)O)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H40O7Si4/c1-26(2,3)17(14(21)22,27(4,5)6)16(25,13(19)20)18(15(23)24,28(7,8)9)29(10,11)12/h25H,1-12H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyUTVKVESZBOPBBC-UHFFFAOYSA-N
XLogP3.88
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.86
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid?
The IUPAC name of 2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid (CID 22214264) is 2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid?
The canonical SMILES for 2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid is C[Si](C)(C)C(C(=O)O)(C(O)(C(=O)O)C(C(=O)O)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid?
The InChIKey is UTVKVESZBOPBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O7Si4/c1-26(2,3)17(14(21)22,27(4,5)6)16(25,13(19)20)18(15(23)24,28(7,8)9)29(10,11)12/h25H,1-12H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid?
2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid has a molecular weight of 480.86 g/mol, XLogP of 3.88, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 22214264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).