2-ethylcyclopenta-1,3-diene;zinc

C7H9Zn- — CID 173012592

IUPAC2-ethylcyclopenta-1,3-diene;zinc
SMILESCCC1=[C-]CC=C1.[Zn]
InChIInChI=1S/C7H9.Zn/c1-2-7-5-3-4-6-7;/h3,5H,2,4H2,1H3;/q-1;
InChIKeyUYEUKJOPYYIESI-UHFFFAOYSA-N
MW158.54 g/mol
LogP2.08
Rot. Bonds1

About 2-ethylcyclopenta-1,3-diene;zinc

2-ethylcyclopenta-1,3-diene;zinc (PubChem CID 173012592) has the molecular formula C7H9Zn- and a molecular weight of 158.54 g/mol. Its IUPAC name is 2-ethylcyclopenta-1,3-diene;zinc.

Molecular Properties

Compound Name2-ethylcyclopenta-1,3-diene;zinc
PubChem CID173012592
Molecular FormulaC7H9Zn-
Molecular Weight158.54 g/mol
Exact Mass157.00
IUPAC Name2-ethylcyclopenta-1,3-diene;zinc
SMILESCCC1=[C-]CC=C1.[Zn]
InChIInChI=1S/C7H9.Zn/c1-2-7-5-3-4-6-7;/h3,5H,2,4H2,1H3;/q-1;
InChIKeyUYEUKJOPYYIESI-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.54
LogP ≤ 52.08
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'}

Analyze 2-ethylcyclopenta-1,3-diene;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclopenta-1,3-diene;zinc?
The IUPAC name of 2-ethylcyclopenta-1,3-diene;zinc (CID 173012592) is 2-ethylcyclopenta-1,3-diene;zinc.
What is the SMILES notation for 2-ethylcyclopenta-1,3-diene;zinc?
The canonical SMILES for 2-ethylcyclopenta-1,3-diene;zinc is CCC1=[C-]CC=C1.[Zn].
What is the InChIKey of 2-ethylcyclopenta-1,3-diene;zinc?
The InChIKey is UYEUKJOPYYIESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.Zn/c1-2-7-5-3-4-6-7;/h3,5H,2,4H2,1H3;/q-1;.
What are the key properties of 2-ethylcyclopenta-1,3-diene;zinc?
2-ethylcyclopenta-1,3-diene;zinc has a molecular weight of 158.54 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclopenta-1,3-diene;zinc is sourced from PubChem (CID 173012592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).