cumene;zinc

C9H12Zn — CID 159490121

IUPACcumene;zinc
SMILESCC(C)c1ccccc1.[Zn]
InChIInChI=1S/C9H12.Zn/c1-8(2)9-6-4-3-5-7-9;/h3-8H,1-2H3;
InChIKeyLYBUFFXZSPKRKR-UHFFFAOYSA-N
MW185.59 g/mol
LogP2.81
Rot. Bonds1

About cumene;zinc

cumene;zinc (PubChem CID 159490121) has the molecular formula C9H12Zn and a molecular weight of 185.59 g/mol. Its IUPAC name is cumene;zinc.

Molecular Properties

Compound Namecumene;zinc
PubChem CID159490121
Molecular FormulaC9H12Zn
Molecular Weight185.59 g/mol
Exact Mass184.02
IUPAC Namecumene;zinc
SMILESCC(C)c1ccccc1.[Zn]
InChIInChI=1S/C9H12.Zn/c1-8(2)9-6-4-3-5-7-9;/h3-8H,1-2H3;
InChIKeyLYBUFFXZSPKRKR-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.59
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cumene;zinc?
The IUPAC name of cumene;zinc (CID 159490121) is cumene;zinc.
What is the SMILES notation for cumene;zinc?
The canonical SMILES for cumene;zinc is CC(C)c1ccccc1.[Zn].
What is the InChIKey of cumene;zinc?
The InChIKey is LYBUFFXZSPKRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.Zn/c1-8(2)9-6-4-3-5-7-9;/h3-8H,1-2H3;.
What are the key properties of cumene;zinc?
cumene;zinc has a molecular weight of 185.59 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;zinc is sourced from PubChem (CID 159490121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).