2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid

C14H22O4Si — CID 167729087

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(O)C(=O)O)cc1
InChIInChI=1S/C14H22O4Si/c1-14(2,3)19(4,5)18-11-8-6-10(7-9-11)12(15)13(16)17/h6-9,12,15H,1-5H3,(H,16,17)
InChIKeyCKJYVCLQMKZHSD-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.19
Rot. Bonds4

About 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid

2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid (PubChem CID 167729087) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
PubChem CID167729087
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(O)C(=O)O)cc1
InChIInChI=1S/C14H22O4Si/c1-14(2,3)19(4,5)18-11-8-6-10(7-9-11)12(15)13(16)17/h6-9,12,15H,1-5H3,(H,16,17)
InChIKeyCKJYVCLQMKZHSD-UHFFFAOYSA-N
XLogP3.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol
CID 10989636
(1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol
CID 11000963
(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol
CID 11335479
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
2-[4-[tert-butyl(dimethyl)silyl]oxy-3-nitrophenyl]-2-hydroxyacetic acid
CID 167720163
tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid
CID 174782746
[(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate
CID 46850140
(Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid
CID 132820359
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid (CID 167729087) is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid is CC(C)(C)[Si](C)(C)Oc1ccc(C(O)C(=O)O)cc1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid?
The InChIKey is CKJYVCLQMKZHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-14(2,3)19(4,5)18-11-8-6-10(7-9-11)12(15)13(16)17/h6-9,12,15H,1-5H3,(H,16,17).
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid?
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid has a molecular weight of 282.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 167729087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).