zinc;benzene;propane

C9H12Zn — CID 22617517

IUPACzinc;benzene;propane
SMILESC[CH-]C.[Zn+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C3H7.Zn/c1-2-4-6-5-3-1;1-3-2;/h1-5H;3H,1-2H3;/q2*-1;+2
InChIKeyZHRATSUXFJHJIC-UHFFFAOYSA-N
MW185.59 g/mol
LogP2.71
Rot. Bonds

About zinc;benzene;propane

zinc;benzene;propane (PubChem CID 22617517) has the molecular formula C9H12Zn and a molecular weight of 185.59 g/mol. Its IUPAC name is zinc;benzene;propane.

Molecular Properties

Compound Namezinc;benzene;propane
PubChem CID22617517
Molecular FormulaC9H12Zn
Molecular Weight185.59 g/mol
Exact Mass184.02
IUPAC Namezinc;benzene;propane
SMILESC[CH-]C.[Zn+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C3H7.Zn/c1-2-4-6-5-3-1;1-3-2;/h1-5H;3H,1-2H3;/q2*-1;+2
InChIKeyZHRATSUXFJHJIC-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.59
LogP ≤ 52.71
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;propane?
The IUPAC name of zinc;benzene;propane (CID 22617517) is zinc;benzene;propane.
What is the SMILES notation for zinc;benzene;propane?
The canonical SMILES for zinc;benzene;propane is C[CH-]C.[Zn+2].[c-]1ccccc1.
What is the InChIKey of zinc;benzene;propane?
The InChIKey is ZHRATSUXFJHJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C3H7.Zn/c1-2-4-6-5-3-1;1-3-2;/h1-5H;3H,1-2H3;/q2*-1;+2.
What are the key properties of zinc;benzene;propane?
zinc;benzene;propane has a molecular weight of 185.59 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;benzene;propane is sourced from PubChem (CID 22617517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).