2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid

C7H12O9Si — CID 19596994

IUPAC2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid
SMILESC[Si](O)(O)OC(=O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C7H12O9Si/c1-17(14,15)16-5(10)3-7(13,6(11)12)2-4(8)9/h13-15H,2-3H2,1H3,(H,8,9)(H,11,12)
InChIKeyYTOVXWZIHQNNQY-UHFFFAOYSA-N
MW268.25 g/mol
LogP-2.24
Rot. Bonds6

About 2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid

2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid (PubChem CID 19596994) has the molecular formula C7H12O9Si and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid.

Molecular Properties

Compound Name2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid
PubChem CID19596994
Molecular FormulaC7H12O9Si
Molecular Weight268.25 g/mol
Exact Mass268.03
IUPAC Name2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid
SMILESC[Si](O)(O)OC(=O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C7H12O9Si/c1-17(14,15)16-5(10)3-7(13,6(11)12)2-4(8)9/h13-15H,2-3H2,1H3,(H,8,9)(H,11,12)
InChIKeyYTOVXWZIHQNNQY-UHFFFAOYSA-N
XLogP-2.24
TPSA161.59 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 5-2.24
H-Bond Donors ≤ 55
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 2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid?
The IUPAC name of 2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid (CID 19596994) is 2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid.
What is the SMILES notation for 2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid?
The canonical SMILES for 2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid is C[Si](O)(O)OC(=O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid?
The InChIKey is YTOVXWZIHQNNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O9Si/c1-17(14,15)16-5(10)3-7(13,6(11)12)2-4(8)9/h13-15H,2-3H2,1H3,(H,8,9)(H,11,12).
What are the key properties of 2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid?
2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid has a molecular weight of 268.25 g/mol, XLogP of -2.24, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[dihydroxy(methyl)silyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid is sourced from PubChem (CID 19596994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).