4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid

C20H26O5Si2 — CID 19914120

IUPAC4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid
SMILESC[Si](C)(C)c1cc(Oc2ccc(C(=O)O)c([Si](C)(C)C)c2)ccc1C(=O)O
InChIInChI=1S/C20H26O5Si2/c1-26(2,3)17-11-13(7-9-15(17)19(21)22)25-14-8-10-16(20(23)24)18(12-14)27(4,5)6/h7-12H,1-6H3,(H,21,22)(H,23,24)
InChIKeyXLYZWNVGTPCNIJ-UHFFFAOYSA-N
MW402.60 g/mol
LogP3.97
Rot. Bonds6

About 4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid

4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid (PubChem CID 19914120) has the molecular formula C20H26O5Si2 and a molecular weight of 402.60 g/mol. Its IUPAC name is 4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid.

Molecular Properties

Compound Name4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid
PubChem CID19914120
Molecular FormulaC20H26O5Si2
Molecular Weight402.60 g/mol
Exact Mass402.13
IUPAC Name4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid
SMILESC[Si](C)(C)c1cc(Oc2ccc(C(=O)O)c([Si](C)(C)C)c2)ccc1C(=O)O
InChIInChI=1S/C20H26O5Si2/c1-26(2,3)17-11-13(7-9-15(17)19(21)22)25-14-8-10-16(20(23)24)18(12-14)27(4,5)6/h7-12H,1-6H3,(H,21,22)(H,23,24)
InChIKeyXLYZWNVGTPCNIJ-UHFFFAOYSA-N
XLogP3.97
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 53.97
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

4-[[2,6-bis(3,4-dicarboxyphenoxy)-4-pyridinyl]oxy]phthalic acid
CID 67343205
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
1-(4-methoxy-2-trimethylsilylphenyl)pentan-1-one
CID 134925143
4-(4-bromo-3,5-dimethylphenoxy)-2-chlorobenzoic acid
CID 107726797
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
CID 142513728
4-[4-carboxy-3-(2-chloro-2-oxoethyl)phenoxy]-2-(2-chloro-2-oxoethyl)benzoic acid
CID 90387151
3-trimethylsilylpyridine-4-carboxylic acid
CID 14673408
2-methyl-4-(4-methylsulfanylphenoxy)benzoic acid
CID 63649360

Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid?
The IUPAC name of 4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid (CID 19914120) is 4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid.
What is the SMILES notation for 4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid?
The canonical SMILES for 4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid is C[Si](C)(C)c1cc(Oc2ccc(C(=O)O)c([Si](C)(C)C)c2)ccc1C(=O)O.
What is the InChIKey of 4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid?
The InChIKey is XLYZWNVGTPCNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5Si2/c1-26(2,3)17-11-13(7-9-15(17)19(21)22)25-14-8-10-16(20(23)24)18(12-14)27(4,5)6/h7-12H,1-6H3,(H,21,22)(H,23,24).
What are the key properties of 4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid?
4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid has a molecular weight of 402.60 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxy-3-trimethylsilylphenoxy)-2-trimethylsilylbenzoic acid is sourced from PubChem (CID 19914120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).