3-(4-trimethylsilylcyclohexyl)propanoic acid

C12H24O2Si — CID 22157759

IUPAC3-(4-trimethylsilylcyclohexyl)propanoic acid
SMILESC[Si](C)(C)C1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H24O2Si/c1-15(2,3)11-7-4-10(5-8-11)6-9-12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyAEAMRXXMALMLBL-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.75
Rot. Bonds4

About 3-(4-trimethylsilylcyclohexyl)propanoic acid

3-(4-trimethylsilylcyclohexyl)propanoic acid (PubChem CID 22157759) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 3-(4-trimethylsilylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name3-(4-trimethylsilylcyclohexyl)propanoic acid
PubChem CID22157759
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name3-(4-trimethylsilylcyclohexyl)propanoic acid
SMILESC[Si](C)(C)C1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H24O2Si/c1-15(2,3)11-7-4-10(5-8-11)6-9-12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyAEAMRXXMALMLBL-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.75
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 3-(4-trimethylsilylcyclohexyl)propanoic acid?
The IUPAC name of 3-(4-trimethylsilylcyclohexyl)propanoic acid (CID 22157759) is 3-(4-trimethylsilylcyclohexyl)propanoic acid.
What is the SMILES notation for 3-(4-trimethylsilylcyclohexyl)propanoic acid?
The canonical SMILES for 3-(4-trimethylsilylcyclohexyl)propanoic acid is C[Si](C)(C)C1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-(4-trimethylsilylcyclohexyl)propanoic acid?
The InChIKey is AEAMRXXMALMLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-15(2,3)11-7-4-10(5-8-11)6-9-12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 3-(4-trimethylsilylcyclohexyl)propanoic acid?
3-(4-trimethylsilylcyclohexyl)propanoic acid has a molecular weight of 228.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-trimethylsilylcyclohexyl)propanoic acid is sourced from PubChem (CID 22157759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).