ethylbenzene;zinc

C8H9Zn- — CID 142196329

IUPACethylbenzene;zinc
SMILESCCc1c[c-]ccc1.[Zn]
InChIInChI=1S/C8H9.Zn/c1-2-8-6-4-3-5-7-8;/h3-4,6-7H,2H2,1H3;/q-1;
InChIKeyKOGQFWPTOPFUJU-UHFFFAOYSA-N
MW170.55 g/mol
LogP2.05
Rot. Bonds1

About ethylbenzene;zinc

ethylbenzene;zinc (PubChem CID 142196329) has the molecular formula C8H9Zn- and a molecular weight of 170.55 g/mol. Its IUPAC name is ethylbenzene;zinc.

Molecular Properties

Compound Nameethylbenzene;zinc
PubChem CID142196329
Molecular FormulaC8H9Zn-
Molecular Weight170.55 g/mol
Exact Mass169.00
IUPAC Nameethylbenzene;zinc
SMILESCCc1c[c-]ccc1.[Zn]
InChIInChI=1S/C8H9.Zn/c1-2-8-6-4-3-5-7-8;/h3-4,6-7H,2H2,1H3;/q-1;
InChIKeyKOGQFWPTOPFUJU-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.55
LogP ≤ 52.05
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;zinc?
The IUPAC name of ethylbenzene;zinc (CID 142196329) is ethylbenzene;zinc.
What is the SMILES notation for ethylbenzene;zinc?
The canonical SMILES for ethylbenzene;zinc is CCc1c[c-]ccc1.[Zn].
What is the InChIKey of ethylbenzene;zinc?
The InChIKey is KOGQFWPTOPFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.Zn/c1-2-8-6-4-3-5-7-8;/h3-4,6-7H,2H2,1H3;/q-1;.
What are the key properties of ethylbenzene;zinc?
ethylbenzene;zinc has a molecular weight of 170.55 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;zinc is sourced from PubChem (CID 142196329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).