magnesium;2-methylpropylbenzene;chloride

C10H13ClMg — CID 14785297

IUPACmagnesium;2-methylpropylbenzene;chloride
SMILESCC(C)[CH-]c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C10H13.ClH.Mg/c1-9(2)8-10-6-4-3-5-7-10;;/h3-9H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyPLVLPYFDKCSVOO-UHFFFAOYSA-M
MW192.97 g/mol
LogP-0.48
Rot. Bonds2

About magnesium;2-methylpropylbenzene;chloride

magnesium;2-methylpropylbenzene;chloride (PubChem CID 14785297) has the molecular formula C10H13ClMg and a molecular weight of 192.97 g/mol. Its IUPAC name is magnesium;2-methylpropylbenzene;chloride.

Molecular Properties

Compound Namemagnesium;2-methylpropylbenzene;chloride
PubChem CID14785297
Molecular FormulaC10H13ClMg
Molecular Weight192.97 g/mol
Exact Mass192.06
IUPAC Namemagnesium;2-methylpropylbenzene;chloride
SMILESCC(C)[CH-]c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C10H13.ClH.Mg/c1-9(2)8-10-6-4-3-5-7-10;;/h3-9H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyPLVLPYFDKCSVOO-UHFFFAOYSA-M
XLogP-0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.97
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-methylpropylbenzene;chloride?
The IUPAC name of magnesium;2-methylpropylbenzene;chloride (CID 14785297) is magnesium;2-methylpropylbenzene;chloride.
What is the SMILES notation for magnesium;2-methylpropylbenzene;chloride?
The canonical SMILES for magnesium;2-methylpropylbenzene;chloride is CC(C)[CH-]c1ccccc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-methylpropylbenzene;chloride?
The InChIKey is PLVLPYFDKCSVOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13.ClH.Mg/c1-9(2)8-10-6-4-3-5-7-10;;/h3-9H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methylpropylbenzene;chloride?
magnesium;2-methylpropylbenzene;chloride has a molecular weight of 192.97 g/mol, XLogP of -0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methylpropylbenzene;chloride is sourced from PubChem (CID 14785297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).