cadmium;cyclohexane-1,1-dicarboxylic acid

C8H12CdO4 — CID 175391690

IUPACcadmium;cyclohexane-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CCCCC1.[Cd]
InChIInChI=1S/C8H12O4.Cd/c9-6(10)8(7(11)12)4-2-1-3-5-8;/h1-5H2,(H,9,10)(H,11,12);
InChIKeyGIFPIYUAKHPMOI-UHFFFAOYSA-N
MW284.59 g/mol
LogP1.10
Rot. Bonds2

About cadmium;cyclohexane-1,1-dicarboxylic acid

cadmium;cyclohexane-1,1-dicarboxylic acid (PubChem CID 175391690) has the molecular formula C8H12CdO4 and a molecular weight of 284.59 g/mol. Its IUPAC name is cadmium;cyclohexane-1,1-dicarboxylic acid.

Molecular Properties

Compound Namecadmium;cyclohexane-1,1-dicarboxylic acid
PubChem CID175391690
Molecular FormulaC8H12CdO4
Molecular Weight284.59 g/mol
Exact Mass285.98
IUPAC Namecadmium;cyclohexane-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CCCCC1.[Cd]
InChIInChI=1S/C8H12O4.Cd/c9-6(10)8(7(11)12)4-2-1-3-5-8;/h1-5H2,(H,9,10)(H,11,12);
InChIKeyGIFPIYUAKHPMOI-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 ≤ 500284.59
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 69418768
CID 69418768
cyclohexane-1,1-dicarboxylic acid;hexanedioic acid
CID 161480417
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CID 175916236
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Frequently Asked Questions

What is the IUPAC name of cadmium;cyclohexane-1,1-dicarboxylic acid?
The IUPAC name of cadmium;cyclohexane-1,1-dicarboxylic acid (CID 175391690) is cadmium;cyclohexane-1,1-dicarboxylic acid.
What is the SMILES notation for cadmium;cyclohexane-1,1-dicarboxylic acid?
The canonical SMILES for cadmium;cyclohexane-1,1-dicarboxylic acid is O=C(O)C1(C(=O)O)CCCCC1.[Cd].
What is the InChIKey of cadmium;cyclohexane-1,1-dicarboxylic acid?
The InChIKey is GIFPIYUAKHPMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4.Cd/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 cadmium;cyclohexane-1,1-dicarboxylic acid?
cadmium;cyclohexane-1,1-dicarboxylic acid has a molecular weight of 284.59 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 cadmium;cyclohexane-1,1-dicarboxylic acid is sourced from PubChem (CID 175391690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).