trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate

C13H32O4Si3 — CID 528652

IUPACtrimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate
SMILESCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si3/c1-11(15-18(2,3)4)12(16-19(5,6)7)13(14)17-20(8,9)10/h11-12H,1-10H3
InChIKeyUFQZVEYAONLNKN-UHFFFAOYSA-N
MW336.65 g/mol
LogP3.82
Rot. Bonds7

About trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate

trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate (PubChem CID 528652) has the molecular formula C13H32O4Si3 and a molecular weight of 336.65 g/mol. Its IUPAC name is trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate
PubChem CID528652
Molecular FormulaC13H32O4Si3
Molecular Weight336.65 g/mol
Exact Mass336.16
IUPAC Nametrimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate
SMILESCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si3/c1-11(15-18(2,3)4)12(16-19(5,6)7)13(14)17-20(8,9)10/h11-12H,1-10H3
InChIKeyUFQZVEYAONLNKN-UHFFFAOYSA-N
XLogP3.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.65
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

beta-Hydroxybutyric acid (tms)
CID 521577
Threono-1,4-lactone, bis-TMS
CID 523398
(3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-one
CID 6427168
Butanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521576
Trimethylsilyl 2-methyl-2,3-bis[(trimethylsilyl)oxy]propanoate
CID 553502
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
Bis(trimethylsilyl) 2-[(trimethylsilyl)oxy]malonate
CID 520885
Glyceric acid tris-TMS
CID 520886
Erythraric acid, TMS
CID 523397
Bis[tert-butyl(dimethyl)silyl] 2-([tert-butyl(dimethyl)silyl]oxy)succinate
CID 528581
Butanedioic acid, 2,3-bis[(tert-butyldimethylsilyl)oxy]-, bis(tert-butyldimethylsilyl) ester
CID 528598
Butanoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528639

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate?
The IUPAC name of trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate (CID 528652) is trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate.
What is the SMILES notation for trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate?
The canonical SMILES for trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate is CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate?
The InChIKey is UFQZVEYAONLNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32O4Si3/c1-11(15-18(2,3)4)12(16-19(5,6)7)13(14)17-20(8,9)10/h11-12H,1-10H3.
What are the key properties of trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate?
trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate has a molecular weight of 336.65 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,3-bis(trimethylsilyloxy)butanoate is sourced from PubChem (CID 528652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).