trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate

C12H28O3Si2 — CID 552866

IUPACtrimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate
SMILESCCC(C(=O)O[Si](C)(C)C)C(C)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-9-11(10(2)14-16(3,4)5)12(13)15-17(6,7)8/h10-11H,9H2,1-8H3
InChIKeyUBPYECQKWHKWQB-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.63
Rot. Bonds6

About trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate

trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate (PubChem CID 552866) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate
PubChem CID552866
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Nametrimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate
SMILESCCC(C(=O)O[Si](C)(C)C)C(C)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-9-11(10(2)14-16(3,4)5)12(13)15-17(6,7)8/h10-11H,9H2,1-8H3
InChIKeyUBPYECQKWHKWQB-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
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
Butanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521655
3-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 522723
2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
Butanoic acid, 2,2-dimethyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528636
Trimethylsilyl 2-([(trimethylsilyl)oxy]methyl)butanoate
CID 528640
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-, methyl ester
CID 560751
trimethylsilyl (3R)-3-trimethylsilyloxybutanoate
CID 13724699
2-Methyl-3-hydroxyvaleric acid, diTMS (1)
CID 91747802
2-Methyl-3-hydroxyvaleric acid, diTMS (2)
CID 91747803
2-Methyl-3-hydroxybutyric acid, diTBDMS
CID 91747827

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate?
The IUPAC name of trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate (CID 552866) is trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate.
What is the SMILES notation for trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate?
The canonical SMILES for trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate is CCC(C(=O)O[Si](C)(C)C)C(C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate?
The InChIKey is UBPYECQKWHKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-9-11(10(2)14-16(3,4)5)12(13)15-17(6,7)8/h10-11H,9H2,1-8H3.
What are the key properties of trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate?
trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate has a molecular weight of 276.52 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-ethyl-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 552866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).