3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid

C11H18O4Si — CID 12726614

IUPAC3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid
SMILESC[Si](C)(C)C1C=CCC(C(=O)O)C1C(=O)O
InChIInChI=1S/C11H18O4Si/c1-16(2,3)8-6-4-5-7(10(12)13)9(8)11(14)15/h4,6-9H,5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyRAXMDFZVAVTBCP-UHFFFAOYSA-N
MW242.35 g/mol
LogP2.06
Rot. Bonds3

About 3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid

3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid (PubChem CID 12726614) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid
PubChem CID12726614
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Name3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid
SMILESC[Si](C)(C)C1C=CCC(C(=O)O)C1C(=O)O
InChIInChI=1S/C11H18O4Si/c1-16(2,3)8-6-4-5-7(10(12)13)9(8)11(14)15/h4,6-9H,5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyRAXMDFZVAVTBCP-UHFFFAOYSA-N
XLogP2.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid?
The IUPAC name of 3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid (CID 12726614) is 3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid.
What is the SMILES notation for 3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid?
The canonical SMILES for 3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid is C[Si](C)(C)C1C=CCC(C(=O)O)C1C(=O)O.
What is the InChIKey of 3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid?
The InChIKey is RAXMDFZVAVTBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-16(2,3)8-6-4-5-7(10(12)13)9(8)11(14)15/h4,6-9H,5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid?
3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid has a molecular weight of 242.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylcyclohex-4-ene-1,2-dicarboxylic acid is sourced from PubChem (CID 12726614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).