2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid

C9H22O4Si2 — CID 87660632

IUPAC2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid
SMILESC[Si](C)(C)OCC(O)(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H22O4Si2/c1-14(2,3)9(12,8(10)11)7-13-15(4,5)6/h12H,7H2,1-6H3,(H,10,11)
InChIKeyPPQVFZRKQLAVFX-UHFFFAOYSA-N
MW250.44 g/mol
LogP1.53
Rot. Bonds5

About 2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid

2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid (PubChem CID 87660632) has the molecular formula C9H22O4Si2 and a molecular weight of 250.44 g/mol. Its IUPAC name is 2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid
PubChem CID87660632
Molecular FormulaC9H22O4Si2
Molecular Weight250.44 g/mol
Exact Mass250.11
IUPAC Name2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid
SMILESC[Si](C)(C)OCC(O)(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H22O4Si2/c1-14(2,3)9(12,8(10)11)7-13-15(4,5)6/h12H,7H2,1-6H3,(H,10,11)
InChIKeyPPQVFZRKQLAVFX-UHFFFAOYSA-N
XLogP1.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glyceric acid tris-TMS
CID 520886
Glyceric acid, diTMS
CID 6430478
(R)-3-(tert-butyl-dimethyl-silanyloxy)-2-hydroxy-propionic acid methyl ester
CID 45037054
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
CID 75086366
2-(Trimethylsilyl)ethyl 2,3-dihydroxypropanoate
CID 86063696
O-tbdms-glyceric acid
CID 129774725
Tbdms-glyceric acid methyl ester
CID 129774727
2,3-Bis[(tms)oxy]propanoic acid
CID 129849725
(2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid
CID 139054898
Glyceric acid, bis-TBDMS
CID 91752630
methyl (2S)-2-hydroxy-3-triethylsilyloxypropanoate
CID 129403846
2-Tri(propan-2-yl)silyloxypropanoic acid
CID 17831162

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid?
The IUPAC name of 2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid (CID 87660632) is 2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid.
What is the SMILES notation for 2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid?
The canonical SMILES for 2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid is C[Si](C)(C)OCC(O)(C(=O)O)[Si](C)(C)C.
What is the InChIKey of 2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid?
The InChIKey is PPQVFZRKQLAVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O4Si2/c1-14(2,3)9(12,8(10)11)7-13-15(4,5)6/h12H,7H2,1-6H3,(H,10,11).
What are the key properties of 2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid?
2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid has a molecular weight of 250.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid is sourced from PubChem (CID 87660632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).