magnesium;1,3-ditert-butylbenzene-5-ide;iodide

C14H21IMg — CID 89428717

IUPACmagnesium;1,3-ditert-butylbenzene-5-ide;iodide
SMILESCC(C)(C)c1c[c-]cc(C(C)(C)C)c1.[I-].[Mg+2]
InChIInChI=1S/C14H21.HI.Mg/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;;/h8-10H,1-6H3;1H;/q-1;;+2/p-1
InChIKeyUSXGOYDOQHJOOG-UHFFFAOYSA-M
MW340.53 g/mol
LogP0.70
Rot. Bonds

About magnesium;1,3-ditert-butylbenzene-5-ide;iodide

magnesium;1,3-ditert-butylbenzene-5-ide;iodide (PubChem CID 89428717) has the molecular formula C14H21IMg and a molecular weight of 340.53 g/mol. Its IUPAC name is magnesium;1,3-ditert-butylbenzene-5-ide;iodide.

Molecular Properties

Compound Namemagnesium;1,3-ditert-butylbenzene-5-ide;iodide
PubChem CID89428717
Molecular FormulaC14H21IMg
Molecular Weight340.53 g/mol
Exact Mass340.05
IUPAC Namemagnesium;1,3-ditert-butylbenzene-5-ide;iodide
SMILESCC(C)(C)c1c[c-]cc(C(C)(C)C)c1.[I-].[Mg+2]
InChIInChI=1S/C14H21.HI.Mg/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;;/h8-10H,1-6H3;1H;/q-1;;+2/p-1
InChIKeyUSXGOYDOQHJOOG-UHFFFAOYSA-M
XLogP0.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,3-ditert-butylbenzene-5-ide;iodide?
The IUPAC name of magnesium;1,3-ditert-butylbenzene-5-ide;iodide (CID 89428717) is magnesium;1,3-ditert-butylbenzene-5-ide;iodide.
What is the SMILES notation for magnesium;1,3-ditert-butylbenzene-5-ide;iodide?
The canonical SMILES for magnesium;1,3-ditert-butylbenzene-5-ide;iodide is CC(C)(C)c1c[c-]cc(C(C)(C)C)c1.[I-].[Mg+2].
What is the InChIKey of magnesium;1,3-ditert-butylbenzene-5-ide;iodide?
The InChIKey is USXGOYDOQHJOOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H21.HI.Mg/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;;/h8-10H,1-6H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3-ditert-butylbenzene-5-ide;iodide?
magnesium;1,3-ditert-butylbenzene-5-ide;iodide has a molecular weight of 340.53 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-ditert-butylbenzene-5-ide;iodide is sourced from PubChem (CID 89428717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).