trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate

C12H28O3Si2 — CID 553085

IUPACtrimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate
SMILESCC(CO[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-10(9-14-16(3,4)5)11(2)12(13)15-17(6,7)8/h10-11H,9H2,1-8H3
InChIKeyCJRGUJJNWPYFGG-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.49
Rot. Bonds6

About trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate

trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate (PubChem CID 553085) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate
PubChem CID553085
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Nametrimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate
SMILESCC(CO[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-10(9-14-16(3,4)5)11(2)12(13)15-17(6,7)8/h10-11H,9H2,1-8H3
InChIKeyCJRGUJJNWPYFGG-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 53.49
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

Trimethylsilyl 4-((trimethylsilyl)oxy)butanoate
CID 589994
4-[(Tert-butyldimethylsilyl)oxy]-3-methylbutanoic acid
CID 86063172
tert-Butyl(dimethyl)silyl 4-([tert-butyl(dimethyl)silyl]oxy)butanoate
CID 589997
Butanedioic acid, methyl-, bis(trimethylsilyl) ester
CID 521658
Butanedioic acid, 2,3-dimethyl-, bis(trimethylsilyl) ester
CID 521659
3-Methyl-4-trimethylsiloxy(trimethylsilyl)butyrate
CID 523685
Trimethylsilyl 2-([(trimethylsilyl)oxy]methyl)butanoate
CID 528640
2-Methyl-4-trimethylsilyloxy(trimethylsilyl)butyrate
CID 589991
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 12156975
3-[Dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate
CID 20652795
[Dimethyl(trimethylsilyloxy)silyl]methyl 2-methylbutanoate
CID 20652810
2-[Dimethyl(trimethylsilyloxy)silyl]ethyl 2-methylbutanoate
CID 57591968

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate?
The IUPAC name of trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate (CID 553085) is trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate.
What is the SMILES notation for trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate?
The canonical SMILES for trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate is CC(CO[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate?
The InChIKey is CJRGUJJNWPYFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-10(9-14-16(3,4)5)11(2)12(13)15-17(6,7)8/h10-11H,9H2,1-8H3.
What are the key properties of trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate?
trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate has a molecular weight of 276.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,3-dimethyl-4-trimethylsilyloxybutanoate is sourced from PubChem (CID 553085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).