2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate

C11H25O3Si2- — CID 22211712

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

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

2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate (PubChem CID 22211712) has the molecular formula C11H25O3Si2- and a molecular weight of 261.49 g/mol. Its IUPAC name is 2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Name2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate
PubChem CID22211712
Molecular FormulaC11H25O3Si2-
Molecular Weight261.49 g/mol
Exact Mass261.13
IUPAC Name2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate
SMILESCC(O[Si](C)(C)C)C(C)(C(=O)[O-])[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-9(14-16(6,7)8)11(2,10(12)13)15(3,4)5/h9H,1-8H3,(H,12,13)/p-1
InChIKeyBOQBXYGOERGQII-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

beta-Hydroxybutyric acid (tms)
CID 521577
3-Trimethylsilyloxyisovaleric acid,trimethylsilyl ester
CID 521571
Butanoic acid, 3-trimethylsilyloxy-, ethyl ester
CID 554460
Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
Butanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3R)-
CID 12914545
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 10911032
(R)-3-(tert-Butyldimethylsilyloxy)butanoic acid
CID 11096091
Ethyl 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 12914544
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobutanoate
CID 140438619
Butanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521655
3-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 522723
Butanoic acid, 2,2-dimethyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate?
The IUPAC name of 2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate (CID 22211712) is 2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate.
What is the SMILES notation for 2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate?
The canonical SMILES for 2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate is CC(O[Si](C)(C)C)C(C)(C(=O)[O-])[Si](C)(C)C.
What is the InChIKey of 2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate?
The InChIKey is BOQBXYGOERGQII-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26O3Si2/c1-9(14-16(6,7)8)11(2,10(12)13)15(3,4)5/h9H,1-8H3,(H,12,13)/p-1.
What are the key properties of 2-methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate?
2-methyl-2-trimethylsilyl-3-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-2-trimethylsilyl-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 22211712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).