cyclohexane-1,1-dicarboxylic acid;zinc

C8H12O4Zn — CID 134612672

IUPACcyclohexane-1,1-dicarboxylic acid;zinc
SMILESO=C(O)C1(C(=O)O)CCCCC1.[Zn]
InChIInChI=1S/C8H12O4.Zn/c9-6(10)8(7(11)12)4-2-1-3-5-8;/h1-5H2,(H,9,10)(H,11,12);
InChIKeyIXURRCRKMVQSFO-UHFFFAOYSA-N
MW237.57 g/mol
LogP1.10
Rot. Bonds2

About cyclohexane-1,1-dicarboxylic acid;zinc

cyclohexane-1,1-dicarboxylic acid;zinc (PubChem CID 134612672) has the molecular formula C8H12O4Zn and a molecular weight of 237.57 g/mol. Its IUPAC name is cyclohexane-1,1-dicarboxylic acid;zinc.

Molecular Properties

Compound Namecyclohexane-1,1-dicarboxylic acid;zinc
PubChem CID134612672
Molecular FormulaC8H12O4Zn
Molecular Weight237.57 g/mol
Exact Mass236.00
IUPAC Namecyclohexane-1,1-dicarboxylic acid;zinc
SMILESO=C(O)C1(C(=O)O)CCCCC1.[Zn]
InChIInChI=1S/C8H12O4.Zn/c9-6(10)8(7(11)12)4-2-1-3-5-8;/h1-5H2,(H,9,10)(H,11,12);
InChIKeyIXURRCRKMVQSFO-UHFFFAOYSA-N
XLogP1.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.57
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,1-dicarboxylic acid;zinc?
The IUPAC name of cyclohexane-1,1-dicarboxylic acid;zinc (CID 134612672) is cyclohexane-1,1-dicarboxylic acid;zinc.
What is the SMILES notation for cyclohexane-1,1-dicarboxylic acid;zinc?
The canonical SMILES for cyclohexane-1,1-dicarboxylic acid;zinc is O=C(O)C1(C(=O)O)CCCCC1.[Zn].
What is the InChIKey of cyclohexane-1,1-dicarboxylic acid;zinc?
The InChIKey is IXURRCRKMVQSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4.Zn/c9-6(10)8(7(11)12)4-2-1-3-5-8;/h1-5H2,(H,9,10)(H,11,12);.
What are the key properties of cyclohexane-1,1-dicarboxylic acid;zinc?
cyclohexane-1,1-dicarboxylic acid;zinc has a molecular weight of 237.57 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,1-dicarboxylic acid;zinc is sourced from PubChem (CID 134612672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).