2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate

C11H25O3Si2- — CID 22214250

IUPAC2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate
SMILESCC(C(C)(O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-9(15(3,4)5)11(2,10(12)13)14-16(6,7)8/h9H,1-8H3,(H,12,13)/p-1
InChIKeyFTTYXBWTONEXGL-UHFFFAOYSA-M
MW261.49 g/mol
LogP2.07
Rot. Bonds5

About 2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate

2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate (PubChem CID 22214250) has the molecular formula C11H25O3Si2- and a molecular weight of 261.49 g/mol. Its IUPAC name is 2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate.

Molecular Properties

Compound Name2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate
PubChem CID22214250
Molecular FormulaC11H25O3Si2-
Molecular Weight261.49 g/mol
Exact Mass261.13
IUPAC Name2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate
SMILESCC(C(C)(O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-9(15(3,4)5)11(2,10(12)13)14-16(6,7)8/h9H,1-8H3,(H,12,13)/p-1
InChIKeyFTTYXBWTONEXGL-UHFFFAOYSA-M
XLogP2.07
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.49
LogP ≤ 52.07
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

Propanoic acid, 2-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521575
Butanoic acid, 3-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521572
Butanoic acid, 2-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 553016
alpha-Hydroxyisobutyric acid, 2TBDMS derivative
CID 553122
2-Ketobutyric acid, tert-butyldimethylsilyl ester
CID 91706642
trimethylsilyl (2S)-3-methyl-2-trimethylsilyloxybutanoate
CID 134856613
2-Ethyl-2-hydroxybutyric acid, TBDMS
CID 91752564
2-Hydroxy-2-methylbutyric acid, TBDMS
CID 91752565
3-Methyl-2-ketobutyric acid tbdms
CID 91696404
Trimethylsilyl 1-trimethylsilyloxycyclopropane-1-carboxylate
CID 13124370
Methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate
CID 22456916
bis-trimethylsilyl-(S)-2-hydroxy-3-methyl-butyric acid
CID 86617061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate?
The IUPAC name of 2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate (CID 22214250) is 2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate.
What is the SMILES notation for 2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate?
The canonical SMILES for 2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate is CC(C(C)(O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C.
What is the InChIKey of 2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate?
The InChIKey is FTTYXBWTONEXGL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26O3Si2/c1-9(15(3,4)5)11(2,10(12)13)14-16(6,7)8/h9H,1-8H3,(H,12,13)/p-1.
What are the key properties of 2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate?
2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate has a molecular weight of 261.49 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate is sourced from PubChem (CID 22214250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).