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

C15H24O4Si — CID 167742574

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H24O4Si/c1-15(2,3)20(5,6)19-12-9-7-11(8-10-12)13(18-4)14(16)17/h7-10,13H,1-6H3,(H,16,17)
InChIKeyUFXIXTZCYPYUCB-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.84
Rot. Bonds5

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

2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid (PubChem CID 167742574) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
PubChem CID167742574
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H24O4Si/c1-15(2,3)20(5,6)19-12-9-7-11(8-10-12)13(18-4)14(16)17/h7-10,13H,1-6H3,(H,16,17)
InChIKeyUFXIXTZCYPYUCB-UHFFFAOYSA-N
XLogP3.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.84
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-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
2-(4-ethoxyphenyl)-2-methoxyacetic acid
CID 83224411
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
CID 70132721
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 97052451
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid
CID 18443665
(Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid
CID 132820359
2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid
CID 21261883
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol
CID 11335479

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid (CID 167742574) is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid is COC(C(=O)O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid?
The InChIKey is UFXIXTZCYPYUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-15(2,3)20(5,6)19-12-9-7-11(8-10-12)13(18-4)14(16)17/h7-10,13H,1-6H3,(H,16,17).
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid?
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid has a molecular weight of 296.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 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-methoxyacetic acid is sourced from PubChem (CID 167742574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).