chromium;methyl benzoate;methyl cyclohexanecarboxylate

C16H16CrO4-6 — CID 11984623

IUPACchromium;methyl benzoate;methyl cyclohexanecarboxylate
SMILESCOC(=O)[C-]1[CH-][CH-][CH-][CH-][CH-]1.COC(=O)c1ccccc1.[Cr]
InChIInChI=1S/2C8H8O2.Cr/c2*1-10-8(9)7-5-3-2-4-6-7;/h2*2-6H,1H3;/q;-6;
InChIKeyUFDBVANSNVBFMD-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.24
Rot. Bonds2

About chromium;methyl benzoate;methyl cyclohexanecarboxylate

chromium;methyl benzoate;methyl cyclohexanecarboxylate (PubChem CID 11984623) has the molecular formula C16H16CrO4-6 and a molecular weight of 324.30 g/mol. Its IUPAC name is chromium;methyl benzoate;methyl cyclohexanecarboxylate.

Molecular Properties

Compound Namechromium;methyl benzoate;methyl cyclohexanecarboxylate
PubChem CID11984623
Molecular FormulaC16H16CrO4-6
Molecular Weight324.30 g/mol
Exact Mass324.05
IUPAC Namechromium;methyl benzoate;methyl cyclohexanecarboxylate
SMILESCOC(=O)[C-]1[CH-][CH-][CH-][CH-][CH-]1.COC(=O)c1ccccc1.[Cr]
InChIInChI=1S/2C8H8O2.Cr/c2*1-10-8(9)7-5-3-2-4-6-7;/h2*2-6H,1H3;/q;-6;
InChIKeyUFDBVANSNVBFMD-UHFFFAOYSA-N
XLogP2.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chromium;methyl benzoate;methyl cyclohexanecarboxylate?
The IUPAC name of chromium;methyl benzoate;methyl cyclohexanecarboxylate (CID 11984623) is chromium;methyl benzoate;methyl cyclohexanecarboxylate.
What is the SMILES notation for chromium;methyl benzoate;methyl cyclohexanecarboxylate?
The canonical SMILES for chromium;methyl benzoate;methyl cyclohexanecarboxylate is COC(=O)[C-]1[CH-][CH-][CH-][CH-][CH-]1.COC(=O)c1ccccc1.[Cr].
What is the InChIKey of chromium;methyl benzoate;methyl cyclohexanecarboxylate?
The InChIKey is UFDBVANSNVBFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8O2.Cr/c2*1-10-8(9)7-5-3-2-4-6-7;/h2*2-6H,1H3;/q;-6;.
What are the key properties of chromium;methyl benzoate;methyl cyclohexanecarboxylate?
chromium;methyl benzoate;methyl cyclohexanecarboxylate has a molecular weight of 324.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;methyl benzoate;methyl cyclohexanecarboxylate is sourced from PubChem (CID 11984623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).