[ditert-butyl(methyl)silyl] 2-hydroxypropanoate

C12H26O3Si — CID 54235262

IUPAC[ditert-butyl(methyl)silyl] 2-hydroxypropanoate
SMILESCC(O)C(=O)O[Si](C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-9(13)10(14)15-16(8,11(2,3)4)12(5,6)7/h9,13H,1-8H3
InChIKeyQMCNTZHRLNAOKA-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.09
Rot. Bonds2

About [ditert-butyl(methyl)silyl] 2-hydroxypropanoate

[ditert-butyl(methyl)silyl] 2-hydroxypropanoate (PubChem CID 54235262) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is [ditert-butyl(methyl)silyl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[ditert-butyl(methyl)silyl] 2-hydroxypropanoate
PubChem CID54235262
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name[ditert-butyl(methyl)silyl] 2-hydroxypropanoate
SMILESCC(O)C(=O)O[Si](C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-9(13)10(14)15-16(8,11(2,3)4)12(5,6)7/h9,13H,1-8H3
InChIKeyQMCNTZHRLNAOKA-UHFFFAOYSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-O-tbdms-lactic acid
CID 14358756
(t-Butyldimethylsilyloxy)acetic acid
CID 11608070
Propanoic acid, 2-t-butyldimethylsilyloxy-, methyl ester
CID 560741
(R)-Methyl 2-((tert-butyldimethylsilyl)oxy)propanoate
CID 10856967
2-Trimethylsilyloxy-propionic acid
CID 22987289
l-(+)-Lactic acid, tert-butyldimethylsilyl ester
CID 14325765
(S)-2-(t-Butyl-dimethyl-silanyloxy)-propionic acid
CID 10035833
Methyl (2S)-2-[(tert-butyldimethylsilyl)oxy]propanoate
CID 11053144
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
CID 11064310
2-[Tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid
CID 12969226
Lactic acid, diTBDMS
CID 528563
L-(+)-Lactic acid, trimethylsilyl ester
CID 14401995

Frequently Asked Questions

What is the IUPAC name of [ditert-butyl(methyl)silyl] 2-hydroxypropanoate?
The IUPAC name of [ditert-butyl(methyl)silyl] 2-hydroxypropanoate (CID 54235262) is [ditert-butyl(methyl)silyl] 2-hydroxypropanoate.
What is the SMILES notation for [ditert-butyl(methyl)silyl] 2-hydroxypropanoate?
The canonical SMILES for [ditert-butyl(methyl)silyl] 2-hydroxypropanoate is CC(O)C(=O)O[Si](C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [ditert-butyl(methyl)silyl] 2-hydroxypropanoate?
The InChIKey is QMCNTZHRLNAOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-9(13)10(14)15-16(8,11(2,3)4)12(5,6)7/h9,13H,1-8H3.
What are the key properties of [ditert-butyl(methyl)silyl] 2-hydroxypropanoate?
[ditert-butyl(methyl)silyl] 2-hydroxypropanoate has a molecular weight of 246.42 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ditert-butyl(methyl)silyl] 2-hydroxypropanoate is sourced from PubChem (CID 54235262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).