1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid

C15H22O2Si — CID 57163811

IUPAC1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC1c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C15H22O2Si/c1-5-15(14(16)17)10-13(15)11-6-8-12(9-7-11)18(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,16,17)
InChIKeyUTYIRBRUBRHYMX-UHFFFAOYSA-N
MW262.43 g/mol
LogP3.20
Rot. Bonds4

About 1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid

1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 57163811) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is 1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid
PubChem CID57163811
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Name1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC1c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C15H22O2Si/c1-5-15(14(16)17)10-13(15)11-6-8-12(9-7-11)18(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,16,17)
InChIKeyUTYIRBRUBRHYMX-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid (CID 57163811) is 1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid is CCC1(C(=O)O)CC1c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is UTYIRBRUBRHYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-5-15(14(16)17)10-13(15)11-6-8-12(9-7-11)18(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,16,17).
What are the key properties of 1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid?
1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 262.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 57163811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).