2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate

C12H27O3Si2- — CID 22212037

IUPAC2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate
SMILESCC(C)(C(=O)[O-])C(C)(O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-11(2,10(13)14)12(3,16(4,5)6)15-17(7,8)9/h1-9H3,(H,13,14)/p-1
InChIKeyWXFARUJLSXVEPJ-UHFFFAOYSA-M
MW275.52 g/mol
LogP2.25
Rot. Bonds5

About 2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate

2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate (PubChem CID 22212037) has the molecular formula C12H27O3Si2- and a molecular weight of 275.52 g/mol. Its IUPAC name is 2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Name2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate
PubChem CID22212037
Molecular FormulaC12H27O3Si2-
Molecular Weight275.52 g/mol
Exact Mass275.15
IUPAC Name2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate
SMILESCC(C)(C(=O)[O-])C(C)(O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-11(2,10(13)14)12(3,16(4,5)6)15-17(7,8)9/h1-9H3,(H,13,14)/p-1
InChIKeyWXFARUJLSXVEPJ-UHFFFAOYSA-M
XLogP2.25
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.52
LogP ≤ 52.25
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

3-Trimethylsilyloxyisovaleric acid,trimethylsilyl ester
CID 521571
Butanoic acid, 2,2-dimethyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528636
3-Hydroxyisovaleric acid, diTBDMS
CID 6430556
Diethylmalonic acid, bis(trimethylsilyl)-ester
CID 553066
Ethylmethylmalonic acid, bis(trimethylsilyl) ester
CID 589985
Trimethylsilyl 2-methyl-2-{[(trimethylsilyl)oxy]methyl}butanoate
CID 91696632
Methyl 2,2-dimethyl-3-trimethylsilyloxybutanoate
CID 13928258
[Tert-butyl(dimethyl)silyl] 2,2-dimethylbutanoate
CID 17945672
[[Ethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2,2-dimethylbutanoate
CID 59782885
[Dimethyl(trimethylsilyloxy)silyl] 2,2-dimethylbutanoate
CID 140779882
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 176209010
Methyl 2,2,3-trimethyl-3-trimethylsilyloxybutanoate
CID 13928256

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate?
The IUPAC name of 2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate (CID 22212037) is 2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate.
What is the SMILES notation for 2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate?
The canonical SMILES for 2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate is CC(C)(C(=O)[O-])C(C)(O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate?
The InChIKey is WXFARUJLSXVEPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28O3Si2/c1-11(2,10(13)14)12(3,16(4,5)6)15-17(7,8)9/h1-9H3,(H,13,14)/p-1.
What are the key properties of 2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate?
2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate has a molecular weight of 275.52 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 22212037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).