chromium;docosanoic acid

C22H44CrO2 — CID 88805724

IUPACchromium;docosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O.[Cr]
InChIInChI=1S/C22H44O2.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);
InChIKeyFQPBUVYZUXRQPL-UHFFFAOYSA-N
MW392.59 g/mol
LogP7.89
Rot. Bonds20

About chromium;docosanoic acid

chromium;docosanoic acid (PubChem CID 88805724) has the molecular formula C22H44CrO2 and a molecular weight of 392.59 g/mol. Its IUPAC name is chromium;docosanoic acid.

Molecular Properties

Compound Namechromium;docosanoic acid
PubChem CID88805724
Molecular FormulaC22H44CrO2
Molecular Weight392.59 g/mol
Exact Mass392.27
IUPAC Namechromium;docosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O.[Cr]
InChIInChI=1S/C22H44O2.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);
InChIKeyFQPBUVYZUXRQPL-UHFFFAOYSA-N
XLogP7.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of chromium;docosanoic acid?
The IUPAC name of chromium;docosanoic acid (CID 88805724) is chromium;docosanoic acid.
What is the SMILES notation for chromium;docosanoic acid?
The canonical SMILES for chromium;docosanoic acid is CCCCCCCCCCCCCCCCCCCCCC(=O)O.[Cr].
What is the InChIKey of chromium;docosanoic acid?
The InChIKey is FQPBUVYZUXRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);.
What are the key properties of chromium;docosanoic acid?
chromium;docosanoic acid has a molecular weight of 392.59 g/mol, XLogP of 7.89, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;docosanoic acid is sourced from PubChem (CID 88805724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).