magnesium;1,3,5-trimethylbenzene-6-ide;chloride

C9H11ClMg — CID 11194664

IUPACmagnesium;1,3,5-trimethylbenzene-6-ide;chloride
SMILESCc1[c-]c(C)cc(C)c1.[Cl-].[Mg+2]
InChIInChI=1S/C9H11.ClH.Mg/c1-7-4-8(2)6-9(3)5-7;;/h4-5H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyVRNZYJHWPPOFDO-UHFFFAOYSA-M
MW178.94 g/mol
LogP-0.96
Rot. Bonds

About magnesium;1,3,5-trimethylbenzene-6-ide;chloride

magnesium;1,3,5-trimethylbenzene-6-ide;chloride (PubChem CID 11194664) has the molecular formula C9H11ClMg and a molecular weight of 178.94 g/mol. Its IUPAC name is magnesium;1,3,5-trimethylbenzene-6-ide;chloride.

Molecular Properties

Compound Namemagnesium;1,3,5-trimethylbenzene-6-ide;chloride
PubChem CID11194664
Molecular FormulaC9H11ClMg
Molecular Weight178.94 g/mol
Exact Mass178.04
IUPAC Namemagnesium;1,3,5-trimethylbenzene-6-ide;chloride
SMILESCc1[c-]c(C)cc(C)c1.[Cl-].[Mg+2]
InChIInChI=1S/C9H11.ClH.Mg/c1-7-4-8(2)6-9(3)5-7;;/h4-5H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyVRNZYJHWPPOFDO-UHFFFAOYSA-M
XLogP-0.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.94
LogP ≤ 5-0.96
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;1,3,5-trimethylbenzene-6-ide;chloride?
The IUPAC name of magnesium;1,3,5-trimethylbenzene-6-ide;chloride (CID 11194664) is magnesium;1,3,5-trimethylbenzene-6-ide;chloride.
What is the SMILES notation for magnesium;1,3,5-trimethylbenzene-6-ide;chloride?
The canonical SMILES for magnesium;1,3,5-trimethylbenzene-6-ide;chloride is Cc1[c-]c(C)cc(C)c1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1,3,5-trimethylbenzene-6-ide;chloride?
The InChIKey is VRNZYJHWPPOFDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11.ClH.Mg/c1-7-4-8(2)6-9(3)5-7;;/h4-5H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3,5-trimethylbenzene-6-ide;chloride?
magnesium;1,3,5-trimethylbenzene-6-ide;chloride has a molecular weight of 178.94 g/mol, XLogP of -0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3,5-trimethylbenzene-6-ide;chloride is sourced from PubChem (CID 11194664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).