magnesium;2-phenyl-1,3-dioxane;chloride

C10H11ClMgO2 — CID 169224785

IUPACmagnesium;2-phenyl-1,3-dioxane;chloride
SMILES[Cl-].[Mg+2].[c-]1ccc(C2OCCCO2)cc1
InChIInChI=1S/C10H11O2.ClH.Mg/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
InChIKeyQZCJFYTZMIYSCC-UHFFFAOYSA-M
MW222.95 g/mol
LogP-1.45
Rot. Bonds1

About magnesium;2-phenyl-1,3-dioxane;chloride

magnesium;2-phenyl-1,3-dioxane;chloride (PubChem CID 169224785) has the molecular formula C10H11ClMgO2 and a molecular weight of 222.95 g/mol. Its IUPAC name is magnesium;2-phenyl-1,3-dioxane;chloride.

Molecular Properties

Compound Namemagnesium;2-phenyl-1,3-dioxane;chloride
PubChem CID169224785
Molecular FormulaC10H11ClMgO2
Molecular Weight222.95 g/mol
Exact Mass222.03
IUPAC Namemagnesium;2-phenyl-1,3-dioxane;chloride
SMILES[Cl-].[Mg+2].[c-]1ccc(C2OCCCO2)cc1
InChIInChI=1S/C10H11O2.ClH.Mg/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
InChIKeyQZCJFYTZMIYSCC-UHFFFAOYSA-M
XLogP-1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.95
LogP ≤ 5-1.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromozinc(1+);2-phenyl-1,3-dioxane
CID 146001614
2-phenyl-1,3-dioxonane
CID 70602118
2-(4-ethenylphenyl)-1,3-dioxane
CID 69099631
2-(4-ethynylphenyl)-1,3-dioxane
CID 12988134
2-[4-(1,3-dioxan-2-yl)phenyl]ethanol
CID 45117158
2-(4-nitrophenyl)-1,3-dioxepane
CID 12562261
2-[3-bromo-5-(1,3-dioxan-2-yl)phenyl]-1,3-dioxane
CID 86166640
3-(1,3-dioxan-2-yl)aniline
CID 601607
2-(3-iodophenyl)-1,3-dioxane
CID 142902920
1-[3-(1,3-dioxan-2-yl)phenyl]ethanone
CID 59248607
magnesium;methylbenzene;oxolane;chloride
CID 131721815
2-(3-ethylsulfanylphenyl)-1,3-dioxane
CID 176697610

Frequently Asked Questions

What is the IUPAC name of magnesium;2-phenyl-1,3-dioxane;chloride?
The IUPAC name of magnesium;2-phenyl-1,3-dioxane;chloride (CID 169224785) is magnesium;2-phenyl-1,3-dioxane;chloride.
What is the SMILES notation for magnesium;2-phenyl-1,3-dioxane;chloride?
The canonical SMILES for magnesium;2-phenyl-1,3-dioxane;chloride is [Cl-].[Mg+2].[c-]1ccc(C2OCCCO2)cc1.
What is the InChIKey of magnesium;2-phenyl-1,3-dioxane;chloride?
The InChIKey is QZCJFYTZMIYSCC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11O2.ClH.Mg/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 magnesium;2-phenyl-1,3-dioxane;chloride?
magnesium;2-phenyl-1,3-dioxane;chloride has a molecular weight of 222.95 g/mol, XLogP of -1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-phenyl-1,3-dioxane;chloride is sourced from PubChem (CID 169224785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).