[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate

C15H34O4Si2 — CID 91752630

IUPAC[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
SMILESCC(C)(C)[Si](C)(C)OCC(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O4Si2/c1-14(2,3)20(7,8)18-11-12(16)13(17)19-21(9,10)15(4,5)6/h12,16H,11H2,1-10H3
InChIKeyPNAFOPFHGPGALB-UHFFFAOYSA-N
MW334.61 g/mol
LogP3.92
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate

[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate (PubChem CID 91752630) has the molecular formula C15H34O4Si2 and a molecular weight of 334.61 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
PubChem CID91752630
Molecular FormulaC15H34O4Si2
Molecular Weight334.61 g/mol
Exact Mass334.20
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
SMILESCC(C)(C)[Si](C)(C)OCC(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O4Si2/c1-14(2,3)20(7,8)18-11-12(16)13(17)19-21(9,10)15(4,5)6/h12,16H,11H2,1-10H3
InChIKeyPNAFOPFHGPGALB-UHFFFAOYSA-N
XLogP3.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.61
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

l-(+)-Lactic acid, tert-butyldimethylsilyl ester
CID 14325765
Glyceric acid, diTMS
CID 6430478
(R)-3-(tert-butyl-dimethyl-silanyloxy)-2-hydroxy-propionic acid methyl ester
CID 45037054
O-tbdms-glyceric acid
CID 129774725
Tbdms-glyceric acid methyl ester
CID 129774727
2,3-Bis[(tms)oxy]propanoic acid
CID 129849725
Glycerate, TBDMS
CID 615637
methyl (2S)-2-hydroxy-3-triethylsilyloxypropanoate
CID 129403846
3-[Tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
CID 18965547
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
CID 54162107
[Ditert-butyl(methyl)silyl] 2-hydroxypropanoate
CID 54235262
3-[Tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid
CID 57296730

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate (CID 91752630) is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate is CC(C)(C)[Si](C)(C)OCC(O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
The InChIKey is PNAFOPFHGPGALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O4Si2/c1-14(2,3)20(7,8)18-11-12(16)13(17)19-21(9,10)15(4,5)6/h12,16H,11H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate has a molecular weight of 334.61 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate is sourced from PubChem (CID 91752630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).