4-(2-chloro-2-dimethylsilylethyl)benzoic acid

C11H15ClO2Si — CID 174617054

IUPAC4-(2-chloro-2-dimethylsilylethyl)benzoic acid
SMILESC[SiH](C)C(Cl)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H15ClO2Si/c1-15(2)10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6,10,15H,7H2,1-2H3,(H,13,14)
InChIKeyVMNFUHXMYDZFCT-UHFFFAOYSA-N
MW242.78 g/mol
LogP2.56
Rot. Bonds4

About 4-(2-chloro-2-dimethylsilylethyl)benzoic acid

4-(2-chloro-2-dimethylsilylethyl)benzoic acid (PubChem CID 174617054) has the molecular formula C11H15ClO2Si and a molecular weight of 242.78 g/mol. Its IUPAC name is 4-(2-chloro-2-dimethylsilylethyl)benzoic acid.

Molecular Properties

Compound Name4-(2-chloro-2-dimethylsilylethyl)benzoic acid
PubChem CID174617054
Molecular FormulaC11H15ClO2Si
Molecular Weight242.78 g/mol
Exact Mass242.05
IUPAC Name4-(2-chloro-2-dimethylsilylethyl)benzoic acid
SMILESC[SiH](C)C(Cl)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H15ClO2Si/c1-15(2)10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6,10,15H,7H2,1-2H3,(H,13,14)
InChIKeyVMNFUHXMYDZFCT-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chlorobutyl)benzoic acid
CID 82161732
4-(2-acetyl-3-oxobutyl)benzoic acid
CID 91216903
2-[(4-carboxyphenyl)methyl]propanedioic acid
CID 131857532
4-(3-methyl-2-sulfobutyl)benzoic acid
CID 151392441
4-[2-(4-tert-butylphenyl)-1-carboxyethyl]benzoic acid
CID 82140106
CID 70258691
CID 70258691
4-(2-acetyloxy-2-fluoroethyl)benzoic acid
CID 70013932
terephthalic acid
CID 160582437
4-(2-dimethoxyphosphoryl-2-fluoroethyl)benzoic acid
CID 87667457
4-ethylbenzoic acid;formaldehyde
CID 155718391
ethane-1,1-diol;terephthalic acid
CID 68971815
4-[2-carboxy-2-(2,4-dimethylphenyl)ethyl]benzoic acid
CID 83955770

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-2-dimethylsilylethyl)benzoic acid?
The IUPAC name of 4-(2-chloro-2-dimethylsilylethyl)benzoic acid (CID 174617054) is 4-(2-chloro-2-dimethylsilylethyl)benzoic acid.
What is the SMILES notation for 4-(2-chloro-2-dimethylsilylethyl)benzoic acid?
The canonical SMILES for 4-(2-chloro-2-dimethylsilylethyl)benzoic acid is C[SiH](C)C(Cl)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-chloro-2-dimethylsilylethyl)benzoic acid?
The InChIKey is VMNFUHXMYDZFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2Si/c1-15(2)10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6,10,15H,7H2,1-2H3,(H,13,14).
What are the key properties of 4-(2-chloro-2-dimethylsilylethyl)benzoic acid?
4-(2-chloro-2-dimethylsilylethyl)benzoic acid has a molecular weight of 242.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-2-dimethylsilylethyl)benzoic acid is sourced from PubChem (CID 174617054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).