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

C9H18O4Si — CID 91374169

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C(=O)O
InChIInChI=1S/C9H18O4Si/c1-9(2,3)14(4,5)13-6-7(10)8(11)12/h6H2,1-5H3,(H,11,12)
InChIKeyCATIMOCBYSLJCD-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.66
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid (PubChem CID 91374169) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid
PubChem CID91374169
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C(=O)O
InChIInChI=1S/C9H18O4Si/c1-9(2,3)14(4,5)13-6-7(10)8(11)12/h6H2,1-5H3,(H,11,12)
InChIKeyCATIMOCBYSLJCD-UHFFFAOYSA-N
XLogP1.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-((Tert-butyldimethylsilyl)oxy)propanoic acid
CID 17805175
Methyl 2-oxo-3-triethylsilyloxypropanoate
CID 71763487
O-tbdms-glyceric acid
CID 129774725
beta-Hydroxypyruvic acid, trimethylsilyl ether, trimethylsilyl ester
CID 91696629
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 5461846
3-[[Tris(1-methylethyl)silyl]oxy]propanoic acid
CID 11637368
3-[Tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 14348510
3-[Tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
CID 18965547
3-[Butyl(dimethyl)silyl]oxypropanoic acid
CID 53979630
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
CID 54162107
4-[Tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid
CID 56986266
3-[Tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid
CID 57296730

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid (CID 91374169) is 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid is CC(C)(C)[Si](C)(C)OCC(=O)C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid?
The InChIKey is CATIMOCBYSLJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-9(2,3)14(4,5)13-6-7(10)8(11)12/h6H2,1-5H3,(H,11,12).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid has a molecular weight of 218.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoic acid is sourced from PubChem (CID 91374169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).