chlorozinc(1+);hexane

C6H13ClZn — CID 12931149

IUPACchlorozinc(1+);hexane
SMILESCl[Zn+].[CH2-]CCCCC
InChIInChI=1S/C6H13.ClH.Zn/c1-3-5-6-4-2;;/h1,3-6H2,2H3;1H;/q-1;;+2/p-1
InChIKeyGRRQWNLLRKAUSN-UHFFFAOYSA-M
MW186.01 g/mol
LogP3.09
Rot. Bonds3

About chlorozinc(1+);hexane

chlorozinc(1+);hexane (PubChem CID 12931149) has the molecular formula C6H13ClZn and a molecular weight of 186.01 g/mol. Its IUPAC name is chlorozinc(1+);hexane.

Molecular Properties

Compound Namechlorozinc(1+);hexane
PubChem CID12931149
Molecular FormulaC6H13ClZn
Molecular Weight186.01 g/mol
Exact Mass184.00
IUPAC Namechlorozinc(1+);hexane
SMILESCl[Zn+].[CH2-]CCCCC
InChIInChI=1S/C6H13.ClH.Zn/c1-3-5-6-4-2;;/h1,3-6H2,2H3;1H;/q-1;;+2/p-1
InChIKeyGRRQWNLLRKAUSN-UHFFFAOYSA-M
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.01
LogP ≤ 53.09
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

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dodecane;zirconium
CID 148549415
zinc heptane
CID 4204916
magnesium;hexane;pentane
CID 19799394
bis(octane);zinc
CID 175041964
dilithium;carbanide;hexane
CID 174334686
tris(heptane);vanadium
CID 59340167
tetrakis(heptane);zirconium(4+)
CID 154501032

Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);hexane?
The IUPAC name of chlorozinc(1+);hexane (CID 12931149) is chlorozinc(1+);hexane.
What is the SMILES notation for chlorozinc(1+);hexane?
The canonical SMILES for chlorozinc(1+);hexane is Cl[Zn+].[CH2-]CCCCC.
What is the InChIKey of chlorozinc(1+);hexane?
The InChIKey is GRRQWNLLRKAUSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13.ClH.Zn/c1-3-5-6-4-2;;/h1,3-6H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);hexane?
chlorozinc(1+);hexane has a molecular weight of 186.01 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);hexane is sourced from PubChem (CID 12931149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).