(2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid

C12H28O6Si2 — CID 139054898

IUPAC(2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid
SMILESC[C@@](O)(C(=O)O)[Si](C)(C)C.C[C@](O)(C(=O)O)[Si](C)(C)C
InChIInChI=1S/2C6H14O3Si/c2*1-6(9,5(7)8)10(2,3)4/h2*9H,1-4H3,(H,7,8)/t2*6-/m10/s1
InChIKeyBKRKJTNKOLUJNA-MTPWEOJCSA-N
MW324.52 g/mol
LogP1.40
Rot. Bonds4

About (2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid

(2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid (PubChem CID 139054898) has the molecular formula C12H28O6Si2 and a molecular weight of 324.52 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid
PubChem CID139054898
Molecular FormulaC12H28O6Si2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name(2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid
SMILESC[C@@](O)(C(=O)O)[Si](C)(C)C.C[C@](O)(C(=O)O)[Si](C)(C)C
InChIInChI=1S/2C6H14O3Si/c2*1-6(9,5(7)8)10(2,3)4/h2*9H,1-4H3,(H,7,8)/t2*6-/m10/s1
InChIKeyBKRKJTNKOLUJNA-MTPWEOJCSA-N
XLogP1.40
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tms-lactic acid
CID 15649138
2-Oxo-3,3-bis(trimethylsilyl)propanoic acid
CID 22211706
2-Tri(propan-2-yl)silyloxypropanoic acid
CID 17831162
2-[Tert-butyl(dimethyl)silyl]-2-hydroxypropanoic acid
CID 17929545
t-Butyldimethylsiloxy lactic acid
CID 18962902
2-Hydroxy-2,3-bis(trimethylsilyl)propanoic acid
CID 21715479
2-Trimethylsilyl-2-trimethylsilyloxypropanoic acid
CID 54097307
(2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 57020188
2-[Tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 86184106
bis-trimethylsilyl-(S)-2-hydroxy-3-methyl-butyric acid
CID 86617061
Trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate
CID 87431804
2-Hydroxy-2-trimethylsilyl-3-trimethylsilyloxypropanoic acid
CID 87660632

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid?
The IUPAC name of (2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid (CID 139054898) is (2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid?
The canonical SMILES for (2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid is C[C@@](O)(C(=O)O)[Si](C)(C)C.C[C@](O)(C(=O)O)[Si](C)(C)C.
What is the InChIKey of (2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid?
The InChIKey is BKRKJTNKOLUJNA-MTPWEOJCSA-N. The full InChI is InChI=1S/2C6H14O3Si/c2*1-6(9,5(7)8)10(2,3)4/h2*9H,1-4H3,(H,7,8)/t2*6-/m10/s1.
What are the key properties of (2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid?
(2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid has a molecular weight of 324.52 g/mol, XLogP of 1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid is sourced from PubChem (CID 139054898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).