zinc hexylbenzene

C24H34Zn — CID 156642936

IUPACzinc hexylbenzene
SMILESCCCCCCc1cc[c-]cc1.CCCCCCc1cc[c-]cc1.[Zn+2]
InChIInChI=1S/2C12H17.Zn/c2*1-2-3-4-6-9-12-10-7-5-8-11-12;/h2*7-8,10-11H,2-4,6,9H2,1H3;/q2*-1;+2
InChIKeyQOWCFAWIDZOVPM-UHFFFAOYSA-N
MW387.93 g/mol
LogP7.22
Rot. Bonds10

About zinc hexylbenzene

zinc hexylbenzene (PubChem CID 156642936) has the molecular formula C24H34Zn and a molecular weight of 387.93 g/mol. Its IUPAC name is zinc hexylbenzene.

Molecular Properties

Compound Namezinc hexylbenzene
PubChem CID156642936
Molecular FormulaC24H34Zn
Molecular Weight387.93 g/mol
Exact Mass386.20
IUPAC Namezinc hexylbenzene
SMILESCCCCCCc1cc[c-]cc1.CCCCCCc1cc[c-]cc1.[Zn+2]
InChIInChI=1S/2C12H17.Zn/c2*1-2-3-4-6-9-12-10-7-5-8-11-12;/h2*7-8,10-11H,2-4,6,9H2,1H3;/q2*-1;+2
InChIKeyQOWCFAWIDZOVPM-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.93
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

zinc;decylbenzene;chloride
CID 162030336
lithium dodecylbenzene
CID 134940671
nickel;nonylbenzene
CID 142762749
magnesium;butylbenzene;bromide
CID 54724510
bromozinc(1+);1-heptyl-4-phenylbenzene
CID 146001623
nickel;nonylbenzene;(4-nonylphenyl)phosphonic acid
CID 157108010
1-butyl-4-nonylbenzene
CID 59545302
octylbenzene
CID 16607
pentanonacontylbenzene
CID 165359347
octacosylbenzene
CID 14228596
1-ethyl-4-octacosylbenzene
CID 175218304
pentadecane;pentadecylbenzene
CID 174970881

Frequently Asked Questions

What is the IUPAC name of zinc hexylbenzene?
The IUPAC name of zinc hexylbenzene (CID 156642936) is zinc hexylbenzene.
What is the SMILES notation for zinc hexylbenzene?
The canonical SMILES for zinc hexylbenzene is CCCCCCc1cc[c-]cc1.CCCCCCc1cc[c-]cc1.[Zn+2].
What is the InChIKey of zinc hexylbenzene?
The InChIKey is QOWCFAWIDZOVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17.Zn/c2*1-2-3-4-6-9-12-10-7-5-8-11-12;/h2*7-8,10-11H,2-4,6,9H2,1H3;/q2*-1;+2.
What are the key properties of zinc hexylbenzene?
zinc hexylbenzene has a molecular weight of 387.93 g/mol, XLogP of 7.22, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc hexylbenzene is sourced from PubChem (CID 156642936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).