2-trimethylsilylethyl 2,3-dihydroxypropanoate

C8H18O4Si — CID 86063696

IUPAC2-trimethylsilylethyl 2,3-dihydroxypropanoate
SMILESC[Si](C)(C)CCOC(=O)C(O)CO
InChIInChI=1S/C8H18O4Si/c1-13(2,3)5-4-12-8(11)7(10)6-9/h7,9-10H,4-6H2,1-3H3
InChIKeyXDKKSLYEIDLJRZ-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.22
Rot. Bonds5

About 2-trimethylsilylethyl 2,3-dihydroxypropanoate

2-trimethylsilylethyl 2,3-dihydroxypropanoate (PubChem CID 86063696) has the molecular formula C8H18O4Si and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2,3-dihydroxypropanoate
PubChem CID86063696
Molecular FormulaC8H18O4Si
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name2-trimethylsilylethyl 2,3-dihydroxypropanoate
SMILESC[Si](C)(C)CCOC(=O)C(O)CO
InChIInChI=1S/C8H18O4Si/c1-13(2,3)5-4-12-8(11)7(10)6-9/h7,9-10H,4-6H2,1-3H3
InChIKeyXDKKSLYEIDLJRZ-UHFFFAOYSA-N
XLogP0.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Glyceric acid, diTMS
CID 6430478
(R)-3-(tert-butyl-dimethyl-silanyloxy)-2-hydroxy-propionic acid methyl ester
CID 45037054
Ethyl 2-hydroxy-3-propoxypropanoate
CID 79567135
2,3-Dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate
CID 90957115
ethyl (2S,3R)-2-hydroxy-3-tri(propan-2-yl)silyloxybutanoate
CID 101061536
O-tbdms-glyceric acid
CID 129774725
Tbdms-glyceric acid methyl ester
CID 129774727
2,3-Bis[(tms)oxy]propanoic acid
CID 129849725
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 135068104
methyl (2S)-2-hydroxy-3-triethylsilyloxypropanoate
CID 129403846
Methyl 2-hydroxy-3-triethylsilylpropanoate
CID 10921993
Diethyl 2-hydroxy-3-triethylsilylbutanedioate
CID 11109497

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2,3-dihydroxypropanoate?
The IUPAC name of 2-trimethylsilylethyl 2,3-dihydroxypropanoate (CID 86063696) is 2-trimethylsilylethyl 2,3-dihydroxypropanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2,3-dihydroxypropanoate?
The canonical SMILES for 2-trimethylsilylethyl 2,3-dihydroxypropanoate is C[Si](C)(C)CCOC(=O)C(O)CO.
What is the InChIKey of 2-trimethylsilylethyl 2,3-dihydroxypropanoate?
The InChIKey is XDKKSLYEIDLJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4Si/c1-13(2,3)5-4-12-8(11)7(10)6-9/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 2,3-dihydroxypropanoate?
2-trimethylsilylethyl 2,3-dihydroxypropanoate has a molecular weight of 206.31 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 86063696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).