zinc;decylbenzene;chloride

C16H25ClZn — CID 162030336

IUPACzinc;decylbenzene;chloride
SMILESCCCCCCCCCCc1cc[c-]cc1.[Cl-].[Zn+2]
InChIInChI=1S/C16H25.ClH.Zn/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;;/h11-12,14-15H,2-8,10,13H2,1H3;1H;/q-1;;+2/p-1
InChIKeyFXTZLGAOZFXWLJ-UHFFFAOYSA-M
MW318.22 g/mol
LogP2.17
Rot. Bonds9

About zinc;decylbenzene;chloride

zinc;decylbenzene;chloride (PubChem CID 162030336) has the molecular formula C16H25ClZn and a molecular weight of 318.22 g/mol. Its IUPAC name is zinc;decylbenzene;chloride.

Molecular Properties

Compound Namezinc;decylbenzene;chloride
PubChem CID162030336
Molecular FormulaC16H25ClZn
Molecular Weight318.22 g/mol
Exact Mass316.09
IUPAC Namezinc;decylbenzene;chloride
SMILESCCCCCCCCCCc1cc[c-]cc1.[Cl-].[Zn+2]
InChIInChI=1S/C16H25.ClH.Zn/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;;/h11-12,14-15H,2-8,10,13H2,1H3;1H;/q-1;;+2/p-1
InChIKeyFXTZLGAOZFXWLJ-UHFFFAOYSA-M
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 52.17
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 hexylbenzene
CID 156642936
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;decylbenzene;chloride?
The IUPAC name of zinc;decylbenzene;chloride (CID 162030336) is zinc;decylbenzene;chloride.
What is the SMILES notation for zinc;decylbenzene;chloride?
The canonical SMILES for zinc;decylbenzene;chloride is CCCCCCCCCCc1cc[c-]cc1.[Cl-].[Zn+2].
What is the InChIKey of zinc;decylbenzene;chloride?
The InChIKey is FXTZLGAOZFXWLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H25.ClH.Zn/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;;/h11-12,14-15H,2-8,10,13H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;decylbenzene;chloride?
zinc;decylbenzene;chloride has a molecular weight of 318.22 g/mol, XLogP of 2.17, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;decylbenzene;chloride is sourced from PubChem (CID 162030336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).