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

C9H9ClMgO2 — CID 135085756

IUPACmagnesium;2-phenyl-1,3-dioxolane;chloride
SMILES[Cl-].[Mg+2].[c-]1cccc(C2OCCO2)c1
InChIInChI=1S/C9H9O2.ClH.Mg/c1-2-4-8(5-3-1)9-10-6-7-11-9;;/h1-2,4-5,9H,6-7H2;1H;/q-1;;+2/p-1
InChIKeyZFPCKQBXPWQPFT-UHFFFAOYSA-M
MW208.93 g/mol
LogP-1.84
Rot. Bonds1

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

magnesium;2-phenyl-1,3-dioxolane;chloride (PubChem CID 135085756) has the molecular formula C9H9ClMgO2 and a molecular weight of 208.93 g/mol. Its IUPAC name is magnesium;2-phenyl-1,3-dioxolane;chloride.

Molecular Properties

Compound Namemagnesium;2-phenyl-1,3-dioxolane;chloride
PubChem CID135085756
Molecular FormulaC9H9ClMgO2
Molecular Weight208.93 g/mol
Exact Mass208.01
IUPAC Namemagnesium;2-phenyl-1,3-dioxolane;chloride
SMILES[Cl-].[Mg+2].[c-]1cccc(C2OCCO2)c1
InChIInChI=1S/C9H9O2.ClH.Mg/c1-2-4-8(5-3-1)9-10-6-7-11-9;;/h1-2,4-5,9H,6-7H2;1H;/q-1;;+2/p-1
InChIKeyZFPCKQBXPWQPFT-UHFFFAOYSA-M
XLogP-1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.93
LogP ≤ 5-1.84
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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Frequently Asked Questions

What is the IUPAC name of magnesium;2-phenyl-1,3-dioxolane;chloride?
The IUPAC name of magnesium;2-phenyl-1,3-dioxolane;chloride (CID 135085756) is magnesium;2-phenyl-1,3-dioxolane;chloride.
What is the SMILES notation for magnesium;2-phenyl-1,3-dioxolane;chloride?
The canonical SMILES for magnesium;2-phenyl-1,3-dioxolane;chloride is [Cl-].[Mg+2].[c-]1cccc(C2OCCO2)c1.
What is the InChIKey of magnesium;2-phenyl-1,3-dioxolane;chloride?
The InChIKey is ZFPCKQBXPWQPFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9O2.ClH.Mg/c1-2-4-8(5-3-1)9-10-6-7-11-9;;/h1-2,4-5,9H,6-7H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-phenyl-1,3-dioxolane;chloride?
magnesium;2-phenyl-1,3-dioxolane;chloride has a molecular weight of 208.93 g/mol, XLogP of -1.84, 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-dioxolane;chloride is sourced from PubChem (CID 135085756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).