(2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid

C15H34O3Si2 — CID 57020188

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@](C)(C(=O)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-13(2,3)19(8,9)15(7,12(16)17)18-20(10,11)14(4,5)6/h1-11H3,(H,16,17)/t15-/m0/s1
InChIKeyZKFUMQBHLJPQAQ-HNNXBMFYSA-N
MW318.61 g/mol
LogP4.90
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid

(2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid (PubChem CID 57020188) has the molecular formula C15H34O3Si2 and a molecular weight of 318.61 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
PubChem CID57020188
Molecular FormulaC15H34O3Si2
Molecular Weight318.61 g/mol
Exact Mass318.20
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@](C)(C(=O)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-13(2,3)19(8,9)15(7,12(16)17)18-20(10,11)14(4,5)6/h1-11H3,(H,16,17)/t15-/m0/s1
InChIKeyZKFUMQBHLJPQAQ-HNNXBMFYSA-N
XLogP4.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.61
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
(S)-2-(t-Butyl-dimethyl-silanyloxy)-propionic acid
CID 10035833
alpha-Hydroxyisobutyric acid, 2TBDMS derivative
CID 553122
(2R)-2-hydroxy-2-trimethylsilylpropanoic acid;(2S)-2-hydroxy-2-trimethylsilylpropanoic acid
CID 139054898
tert-Butyldimethylsilyl 2-hydroxy-2-methylpropanoate
CID 91697264
(R)-(+)-2-(tert-butyldimethylsilyloxy)propanoic acid
CID 14358757
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
2-Methyl-2-trimethylsilyloxypropanoic acid
CID 54270259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid (CID 57020188) is (2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid is CC(C)(C)[Si](C)(C)O[C@](C)(C(=O)O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
The InChIKey is ZKFUMQBHLJPQAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H34O3Si2/c1-13(2,3)19(8,9)15(7,12(16)17)18-20(10,11)14(4,5)6/h1-11H3,(H,16,17)/t15-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
(2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid has a molecular weight of 318.61 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid is sourced from PubChem (CID 57020188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).