2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid

C26H40O3Si2 — CID 57371434

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)O)(c1ccccc1)c1ccccc1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H40O3Si2/c1-24(2,3)30(7,8)22-19-15-14-18-21(22)26(23(27)28,20-16-12-11-13-17-20)29-31(9,10)25(4,5)6/h11-19H,1-10H3,(H,27,28)
InChIKeyXPNOPHUVTWGPHS-UHFFFAOYSA-N
MW456.78 g/mol
LogP6.75
Rot. Bonds6

About 2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid

2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid (PubChem CID 57371434) has the molecular formula C26H40O3Si2 and a molecular weight of 456.78 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid
PubChem CID57371434
Molecular FormulaC26H40O3Si2
Molecular Weight456.78 g/mol
Exact Mass456.25
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)O)(c1ccccc1)c1ccccc1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H40O3Si2/c1-24(2,3)30(7,8)22-19-15-14-18-21(22)26(23(27)28,20-16-12-11-13-17-20)29-31(9,10)25(4,5)6/h11-19H,1-10H3,(H,27,28)
InChIKeyXPNOPHUVTWGPHS-UHFFFAOYSA-N
XLogP6.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.78
LogP ≤ 56.75
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-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid
CID 170850849
CID 173256229
CID 173256229
tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane
CID 24898876
2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde
CID 10806072
2-hydroperoxy-2,2-diphenylacetic acid
CID 5314128
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid
CID 174409827
1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one
CID 56998630
2-[2-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 59712997
2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
CID 18962902
(2S)-2-phenyl-2-trimethylsilyl-2-trimethylsilyloxyacetic acid
CID 54395913
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid (CID 57371434) is 2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid is CC(C)(C)[Si](C)(C)OC(C(=O)O)(c1ccccc1)c1ccccc1[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid?
The InChIKey is XPNOPHUVTWGPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O3Si2/c1-24(2,3)30(7,8)22-19-15-14-18-21(22)26(23(27)28,20-16-12-11-13-17-20)29-31(9,10)25(4,5)6/h11-19H,1-10H3,(H,27,28).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid?
2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid has a molecular weight of 456.78 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]phenyl]-2-phenylacetic acid is sourced from PubChem (CID 57371434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).