4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid

C18H22O5Si2 — CID 22614160

IUPAC4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid
SMILESC[Si](C)(C)O[Si](C)(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C18H22O5Si2/c1-24(2,3)23-25(4,15-9-5-13(6-10-15)17(19)20)16-11-7-14(8-12-16)18(21)22/h5-12H,1-4H3,(H,19,20)(H,21,22)
InChIKeyMDJNHBKUSAIEHT-UHFFFAOYSA-N
MW374.54 g/mol
LogP2.62
Rot. Bonds6

About 4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid

4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid (PubChem CID 22614160) has the molecular formula C18H22O5Si2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid
PubChem CID22614160
Molecular FormulaC18H22O5Si2
Molecular Weight374.54 g/mol
Exact Mass374.10
IUPAC Name4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid
SMILESC[Si](C)(C)O[Si](C)(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C18H22O5Si2/c1-24(2,3)23-25(4,15-9-5-13(6-10-15)17(19)20)16-11-7-14(8-12-16)18(21)22/h5-12H,1-4H3,(H,19,20)(H,21,22)
InChIKeyMDJNHBKUSAIEHT-UHFFFAOYSA-N
XLogP2.62
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid?
The IUPAC name of 4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid (CID 22614160) is 4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid.
What is the SMILES notation for 4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid?
The canonical SMILES for 4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid is C[Si](C)(C)O[Si](C)(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid?
The InChIKey is MDJNHBKUSAIEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5Si2/c1-24(2,3)23-25(4,15-9-5-13(6-10-15)17(19)20)16-11-7-14(8-12-16)18(21)22/h5-12H,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid?
4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid has a molecular weight of 374.54 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carboxyphenyl)-methyl-trimethylsilyloxysilyl]benzoic acid is sourced from PubChem (CID 22614160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).