4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid

C11H18O5Si — CID 70460154

IUPAC4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid
SMILESCO[Si](C)(C)C1=CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H18O5Si/c1-16-17(2,3)7-4-5-8(10(12)13)9(6-7)11(14)15/h4,8-9H,5-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyWQXSIWGETFHVLW-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.50
Rot. Bonds4

About 4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid

4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid (PubChem CID 70460154) has the molecular formula C11H18O5Si and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid
PubChem CID70460154
Molecular FormulaC11H18O5Si
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid
SMILESCO[Si](C)(C)C1=CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H18O5Si/c1-16-17(2,3)7-4-5-8(10(12)13)9(6-7)11(14)15/h4,8-9H,5-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyWQXSIWGETFHVLW-UHFFFAOYSA-N
XLogP1.50
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid?
The IUPAC name of 4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid (CID 70460154) is 4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid.
What is the SMILES notation for 4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid?
The canonical SMILES for 4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid is CO[Si](C)(C)C1=CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid?
The InChIKey is WQXSIWGETFHVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5Si/c1-16-17(2,3)7-4-5-8(10(12)13)9(6-7)11(14)15/h4,8-9H,5-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid?
4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid has a molecular weight of 258.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid is sourced from PubChem (CID 70460154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).