zinc;benzene;ethene

C8H8Zn — CID 172652007

IUPACzinc;benzene;ethene
SMILES[H][C-]=C.[Zn+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C2H3.Zn/c1-2-4-6-5-3-1;1-2;/h1-5H;1H,2H2;/q2*-1;+2
InChIKeyICRDWBWXIBRIRW-UHFFFAOYSA-N
MW169.54 g/mol
LogP2.09
Rot. Bonds

About zinc;benzene;ethene

zinc;benzene;ethene (PubChem CID 172652007) has the molecular formula C8H8Zn and a molecular weight of 169.54 g/mol. Its IUPAC name is zinc;benzene;ethene.

Molecular Properties

Compound Namezinc;benzene;ethene
PubChem CID172652007
Molecular FormulaC8H8Zn
Molecular Weight169.54 g/mol
Exact Mass167.99
IUPAC Namezinc;benzene;ethene
SMILES[H][C-]=C.[Zn+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C2H3.Zn/c1-2-4-6-5-3-1;1-2;/h1-5H;1H,2H2;/q2*-1;+2
InChIKeyICRDWBWXIBRIRW-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.54
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;benzene;ethene?
The IUPAC name of zinc;benzene;ethene (CID 172652007) is zinc;benzene;ethene.
What is the SMILES notation for zinc;benzene;ethene?
The canonical SMILES for zinc;benzene;ethene is [H][C-]=C.[Zn+2].[c-]1ccccc1.
What is the InChIKey of zinc;benzene;ethene?
The InChIKey is ICRDWBWXIBRIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C2H3.Zn/c1-2-4-6-5-3-1;1-2;/h1-5H;1H,2H2;/q2*-1;+2.
What are the key properties of zinc;benzene;ethene?
zinc;benzene;ethene has a molecular weight of 169.54 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;benzene;ethene is sourced from PubChem (CID 172652007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).