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

C15H32O7Si3 — CID 91696760

IUPACtris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate
SMILESC[Si](C)(C)OC(=O)CC(O)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O7Si3/c1-23(2,3)20-12(16)10-15(19,14(18)22-25(7,8)9)11-13(17)21-24(4,5)6/h19H,10-11H2,1-9H3
InChIKeyHNRUOTSRMGCNPS-UHFFFAOYSA-N
MW408.67 g/mol
LogP2.63
Rot. Bonds8

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

tris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 91696760) has the molecular formula C15H32O7Si3 and a molecular weight of 408.67 g/mol. Its IUPAC name is tris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID91696760
Molecular FormulaC15H32O7Si3
Molecular Weight408.67 g/mol
Exact Mass408.15
IUPAC Nametris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate
SMILESC[Si](C)(C)OC(=O)CC(O)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O7Si3/c1-23(2,3)20-12(16)10-15(19,14(18)22-25(7,8)9)11-13(17)21-24(4,5)6/h19H,10-11H2,1-9H3
InChIKeyHNRUOTSRMGCNPS-UHFFFAOYSA-N
XLogP2.63
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.67
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 553132
Methyl [(isopropoxycarbonyl)disulfanyl]acetate
CID 523775
1,2,3-Propanetricarboxylic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tris(tert-butyldimethylsilyl) ester
CID 528571
D-(-)-Citramalic acid, 2TMS derivative
CID 91696417
Methylcitric acid, tetraTBDMS (1)
CID 6430569
3-Hydroxy-3-methylglutaric acid, TMS # 1
CID 91749589
2-[2-[Dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid
CID 19596994
2-Hydroxy-1,1,3,3-tetrakis(trimethylsilyl)propane-1,2,3-tricarboxylic acid
CID 22214264
Acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 46236051
2-Trimethylsilyloxypropane-1,2,3-tricarboxylic acid
CID 57446920
2-[3-[[Dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]propane-1,2,3-tricarboxylic acid
CID 57687962
2-[3-[[Dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]propane-1,2,3-tricarboxylic acid
CID 57687963

Frequently Asked Questions

What is the IUPAC name of tris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of tris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate (CID 91696760) is tris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for tris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for tris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate is C[Si](C)(C)OC(=O)CC(O)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of tris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is HNRUOTSRMGCNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O7Si3/c1-23(2,3)20-12(16)10-15(19,14(18)22-25(7,8)9)11-13(17)21-24(4,5)6/h19H,10-11H2,1-9H3.
What are the key properties of tris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate?
tris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 408.67 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trimethylsilyl) 2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 91696760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).