2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid

C9H20O4Si — CID 18962902

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
SMILESCC(O)(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H20O4Si/c1-8(2,3)14(5,6)13-9(4,12)7(10)11/h12H,1-6H3,(H,10,11)
InChIKeyYMFNNQMIMKHAJE-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.80
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid

2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid (PubChem CID 18962902) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
PubChem CID18962902
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
SMILESCC(O)(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H20O4Si/c1-8(2,3)14(5,6)13-9(4,12)7(10)11/h12H,1-6H3,(H,10,11)
InChIKeyYMFNNQMIMKHAJE-UHFFFAOYSA-N
XLogP1.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-amine
CID 163618882
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
CID 171376634
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid
CID 10758542
tert-butyl-(2,3-dimethylbut-3-en-2-yloxy)-dimethylsilane
CID 12568514
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid
CID 57371434
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione
CID 134956328

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid (CID 18962902) is 2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid is CC(O)(O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid?
The InChIKey is YMFNNQMIMKHAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-8(2,3)14(5,6)13-9(4,12)7(10)11/h12H,1-6H3,(H,10,11).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid?
2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid has a molecular weight of 220.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid is sourced from PubChem (CID 18962902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).