2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate

C10H22O3Si — CID 10680365

IUPAC2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate
SMILESCC(C)[C@H](O)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C10H22O3Si/c1-8(2)9(11)10(12)13-6-7-14(3,4)5/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyCDANEXXWUCMROT-VIFPVBQESA-N
MW218.37 g/mol
LogP1.88
Rot. Bonds5

About 2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate

2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate (PubChem CID 10680365) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate
PubChem CID10680365
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate
SMILESCC(C)[C@H](O)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C10H22O3Si/c1-8(2)9(11)10(12)13-6-7-14(3,4)5/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyCDANEXXWUCMROT-VIFPVBQESA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate?
The IUPAC name of 2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate (CID 10680365) is 2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate.
What is the SMILES notation for 2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate?
The canonical SMILES for 2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate is CC(C)[C@H](O)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate?
The InChIKey is CDANEXXWUCMROT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22O3Si/c1-8(2)9(11)10(12)13-6-7-14(3,4)5/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of 2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate?
2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate has a molecular weight of 218.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (2S)-2-hydroxy-3-methylbutanoate is sourced from PubChem (CID 10680365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).