cobalt(3+);methylbenzene

C21H21Co — CID 156753430

IUPACcobalt(3+);methylbenzene
SMILESCc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Co+3]
InChIInChI=1S/3C7H7.Co/c3*1-7-5-3-2-4-6-7;/h3*3-6H,1H3;/q3*-1;+3
InChIKeyUQIGASVTFSHJKF-UHFFFAOYSA-N
MW332.33 g/mol
LogP5.38
Rot. Bonds

About cobalt(3+);methylbenzene

cobalt(3+);methylbenzene (PubChem CID 156753430) has the molecular formula C21H21Co and a molecular weight of 332.33 g/mol. Its IUPAC name is cobalt(3+);methylbenzene.

Molecular Properties

Compound Namecobalt(3+);methylbenzene
PubChem CID156753430
Molecular FormulaC21H21Co
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC Namecobalt(3+);methylbenzene
SMILESCc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Co+3]
InChIInChI=1S/3C7H7.Co/c3*1-7-5-3-2-4-6-7;/h3*3-6H,1H3;/q3*-1;+3
InChIKeyUQIGASVTFSHJKF-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.33
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methylbenzene;zirconium
CID 154186584
methylbenzene;yttrium(3+)
CID 22952606
ethane;methylbenzene;yttrium
CID 158556230
methane;methylbenzene;yttrium
CID 160876865
methane;methylbenzene;yttrium
CID 158936681
methanol;methylbenzene;titanium
CID 141397968
magnesium;methylbenzene;chloride;hydrobromide
CID 87204624
methylbenzene;triiodotitanium(1+)
CID 18688117
carbanide;dioxouranium(2+);methylbenzene
CID 163813971
potassium;boric acid;methylbenzene
CID 159556662
1,3-dimethylbenzene-5-ide;methylbenzene;yttrium
CID 59372723
ethane;methylbenzene;4-methylphenol;yttrium
CID 160854018

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);methylbenzene?
The IUPAC name of cobalt(3+);methylbenzene (CID 156753430) is cobalt(3+);methylbenzene.
What is the SMILES notation for cobalt(3+);methylbenzene?
The canonical SMILES for cobalt(3+);methylbenzene is Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Co+3].
What is the InChIKey of cobalt(3+);methylbenzene?
The InChIKey is UQIGASVTFSHJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H7.Co/c3*1-7-5-3-2-4-6-7;/h3*3-6H,1H3;/q3*-1;+3.
What are the key properties of cobalt(3+);methylbenzene?
cobalt(3+);methylbenzene has a molecular weight of 332.33 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);methylbenzene is sourced from PubChem (CID 156753430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).