zinc propylbenzene

C18H22Zn — CID 562413

IUPACzinc propylbenzene
SMILESC[CH-]Cc1ccccc1.C[CH-]Cc1ccccc1.[Zn+2]
InChIInChI=1S/2C9H11.Zn/c2*1-2-6-9-7-4-3-5-8-9;/h2*2-5,7-8H,6H2,1H3;/q2*-1;+2
InChIKeyJADNSUUPWGZXBU-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.90
Rot. Bonds4

About zinc propylbenzene

zinc propylbenzene (PubChem CID 562413) has the molecular formula C18H22Zn and a molecular weight of 303.76 g/mol. Its IUPAC name is zinc propylbenzene.

Molecular Properties

Compound Namezinc propylbenzene
PubChem CID562413
Molecular FormulaC18H22Zn
Molecular Weight303.76 g/mol
Exact Mass302.10
IUPAC Namezinc propylbenzene
SMILESC[CH-]Cc1ccccc1.C[CH-]Cc1ccccc1.[Zn+2]
InChIInChI=1S/2C9H11.Zn/c2*1-2-6-9-7-4-3-5-8-9;/h2*2-5,7-8H,6H2,1H3;/q2*-1;+2
InChIKeyJADNSUUPWGZXBU-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.90
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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CID 135085754
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4-phenylbutylbenzene
CID 141301927
ethane;3-phenylpropanoate;yttrium
CID 160889858
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569
zinc butylbenzene
CID 563257
1,4-dibenzylbenzene;ethane
CID 91406396
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
ethylbenzene;molybdenum
CID 161189179

Frequently Asked Questions

What is the IUPAC name of zinc propylbenzene?
The IUPAC name of zinc propylbenzene (CID 562413) is zinc propylbenzene.
What is the SMILES notation for zinc propylbenzene?
The canonical SMILES for zinc propylbenzene is C[CH-]Cc1ccccc1.C[CH-]Cc1ccccc1.[Zn+2].
What is the InChIKey of zinc propylbenzene?
The InChIKey is JADNSUUPWGZXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11.Zn/c2*1-2-6-9-7-4-3-5-8-9;/h2*2-5,7-8H,6H2,1H3;/q2*-1;+2.
What are the key properties of zinc propylbenzene?
zinc propylbenzene has a molecular weight of 303.76 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc propylbenzene is sourced from PubChem (CID 562413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).