trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate

C11H26O3Si2 — CID 134856613

IUPACtrimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate
SMILESCC(C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-9(2)10(13-15(3,4)5)11(12)14-16(6,7)8/h9-10H,1-8H3/t10-/m0/s1
InChIKeyQWRWSWPAGNHCNI-JTQLQIEISA-N
MW262.50 g/mol
LogP3.24
Rot. Bonds5

About trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate

trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate (PubChem CID 134856613) has the molecular formula C11H26O3Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate
PubChem CID134856613
Molecular FormulaC11H26O3Si2
Molecular Weight262.50 g/mol
Exact Mass262.14
IUPAC Nametrimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate
SMILESCC(C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-9(2)10(13-15(3,4)5)11(12)14-16(6,7)8/h9-10H,1-8H3/t10-/m0/s1
InChIKeyQWRWSWPAGNHCNI-JTQLQIEISA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(trimethylsilyl)lactate
CID 519450
Butanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521576
Butanoic acid, 3-methyl-2-oxo-, trimethylsilyl ester
CID 85989096
Trimethylsilyl (2S)-2-[(trimethylsilyl)oxy]propanoate
CID 12642213
tert-Butyl(dimethyl)silyl 2-([tert-butyl(dimethyl)silyl]oxy)-3-methylbutanoate
CID 553040
Butanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester
CID 590026
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
CID 11064310
Trimethylsilyl 4-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 521553
Butanoic acid, 3-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521572
Butanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521655
2-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 521692
Lactic acid, diTBDMS
CID 528563

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate?
The IUPAC name of trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate (CID 134856613) is trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate.
What is the SMILES notation for trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate?
The canonical SMILES for trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate is CC(C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate?
The InChIKey is QWRWSWPAGNHCNI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H26O3Si2/c1-9(2)10(13-15(3,4)5)11(12)14-16(6,7)8/h9-10H,1-8H3/t10-/m0/s1.
What are the key properties of trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate?
trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate has a molecular weight of 262.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate is sourced from PubChem (CID 134856613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).