chlorozinc(1+);2-phenyl-1,3-dioxane

C10H11ClO2Zn — CID 134844904

IUPACchlorozinc(1+);2-phenyl-1,3-dioxane
SMILESCl[Zn+].[c-]1ccc(C2OCCCO2)cc1
InChIInChI=1S/C10H11O2.ClH.Zn/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;;/h2-3,5-6,10H,4,7-8H2;1H;/q-1;;+2/p-1
InChIKeyQUPXVKKVRNBMRO-UHFFFAOYSA-M
MW264.04 g/mol
LogP2.61
Rot. Bonds1

About chlorozinc(1+);2-phenyl-1,3-dioxane

chlorozinc(1+);2-phenyl-1,3-dioxane (PubChem CID 134844904) has the molecular formula C10H11ClO2Zn and a molecular weight of 264.04 g/mol. Its IUPAC name is chlorozinc(1+);2-phenyl-1,3-dioxane.

Molecular Properties

Compound Namechlorozinc(1+);2-phenyl-1,3-dioxane
PubChem CID134844904
Molecular FormulaC10H11ClO2Zn
Molecular Weight264.04 g/mol
Exact Mass261.97
IUPAC Namechlorozinc(1+);2-phenyl-1,3-dioxane
SMILESCl[Zn+].[c-]1ccc(C2OCCCO2)cc1
InChIInChI=1S/C10H11O2.ClH.Zn/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;;/h2-3,5-6,10H,4,7-8H2;1H;/q-1;;+2/p-1
InChIKeyQUPXVKKVRNBMRO-UHFFFAOYSA-M
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 chlorozinc(1+);2-phenyl-1,3-dioxane?
The IUPAC name of chlorozinc(1+);2-phenyl-1,3-dioxane (CID 134844904) is chlorozinc(1+);2-phenyl-1,3-dioxane.
What is the SMILES notation for chlorozinc(1+);2-phenyl-1,3-dioxane?
The canonical SMILES for chlorozinc(1+);2-phenyl-1,3-dioxane is Cl[Zn+].[c-]1ccc(C2OCCCO2)cc1.
What is the InChIKey of chlorozinc(1+);2-phenyl-1,3-dioxane?
The InChIKey is QUPXVKKVRNBMRO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11O2.ClH.Zn/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;;/h2-3,5-6,10H,4,7-8H2;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);2-phenyl-1,3-dioxane?
chlorozinc(1+);2-phenyl-1,3-dioxane has a molecular weight of 264.04 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);2-phenyl-1,3-dioxane is sourced from PubChem (CID 134844904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).