2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid

C20H28O3Si2 — CID 170850849

IUPAC2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid
SMILESC[Si](C)(C)OC(C(=O)O)(c1ccccc1)c1ccccc1[Si](C)(C)C
InChIInChI=1S/C20H28O3Si2/c1-24(2,3)18-15-11-10-14-17(18)20(19(21)22,23-25(4,5)6)16-12-8-7-9-13-16/h7-15H,1-6H3,(H,21,22)
InChIKeyNRPXAJJQHBDCHM-UHFFFAOYSA-N
MW372.61 g/mol
LogP4.41
Rot. Bonds6

About 2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid

2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid (PubChem CID 170850849) has the molecular formula C20H28O3Si2 and a molecular weight of 372.61 g/mol. Its IUPAC name is 2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid
PubChem CID170850849
Molecular FormulaC20H28O3Si2
Molecular Weight372.61 g/mol
Exact Mass372.16
IUPAC Name2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid
SMILESC[Si](C)(C)OC(C(=O)O)(c1ccccc1)c1ccccc1[Si](C)(C)C
InChIInChI=1S/C20H28O3Si2/c1-24(2,3)18-15-11-10-14-17(18)20(19(21)22,23-25(4,5)6)16-12-8-7-9-13-16/h7-15H,1-6H3,(H,21,22)
InChIKeyNRPXAJJQHBDCHM-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid?
The IUPAC name of 2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid (CID 170850849) is 2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid.
What is the SMILES notation for 2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid?
The canonical SMILES for 2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid is C[Si](C)(C)OC(C(=O)O)(c1ccccc1)c1ccccc1[Si](C)(C)C.
What is the InChIKey of 2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid?
The InChIKey is NRPXAJJQHBDCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3Si2/c1-24(2,3)18-15-11-10-14-17(18)20(19(21)22,23-25(4,5)6)16-12-8-7-9-13-16/h7-15H,1-6H3,(H,21,22).
What are the key properties of 2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid?
2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid has a molecular weight of 372.61 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid is sourced from PubChem (CID 170850849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).