4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid

C19H32O3Si — CID 141255489

IUPAC4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid
SMILESCCCC[Si](CCCC)(CCc1ccc(C(=O)O)cc1)OCC
InChIInChI=1S/C19H32O3Si/c1-4-7-14-23(22-6-3,15-8-5-2)16-13-17-9-11-18(12-10-17)19(20)21/h9-12H,4-8,13-16H2,1-3H3,(H,20,21)
InChIKeyFDDMASAREURVIC-UHFFFAOYSA-N
MW336.55 g/mol
LogP5.51
Rot. Bonds12

About 4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid

4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid (PubChem CID 141255489) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is 4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid
PubChem CID141255489
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Name4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid
SMILESCCCC[Si](CCCC)(CCc1ccc(C(=O)O)cc1)OCC
InChIInChI=1S/C19H32O3Si/c1-4-7-14-23(22-6-3,15-8-5-2)16-13-17-9-11-18(12-10-17)19(20)21/h9-12H,4-8,13-16H2,1-3H3,(H,20,21)
InChIKeyFDDMASAREURVIC-UHFFFAOYSA-N
XLogP5.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.55
LogP ≤ 55.51
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

4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
ethane;4-propylbenzoic acid
CID 91047964
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
4-(4-dodecylphenyl)benzoic acid
CID 3092136
4-(2-hydroxyethyl)benzoic acid
CID 506062
4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
4-[2-[(2-pentoxyacetyl)amino]ethyl]benzoic acid
CID 119168616
4-[(5S)-5-methylnonyl]benzoic acid
CID 18641316
4-[(E)-octadec-9-enyl]benzoic acid
CID 67928676
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223
4-hydroxybenzoic acid;4-methoxybenzoic acid;4-pentylphenol
CID 70601165

Frequently Asked Questions

What is the IUPAC name of 4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid?
The IUPAC name of 4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid (CID 141255489) is 4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid is CCCC[Si](CCCC)(CCc1ccc(C(=O)O)cc1)OCC.
What is the InChIKey of 4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid?
The InChIKey is FDDMASAREURVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-4-7-14-23(22-6-3,15-8-5-2)16-13-17-9-11-18(12-10-17)19(20)21/h9-12H,4-8,13-16H2,1-3H3,(H,20,21).
What are the key properties of 4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid?
4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid has a molecular weight of 336.55 g/mol, XLogP of 5.51, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid is sourced from PubChem (CID 141255489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).