magnesium;ethanol;methanidylbenzene

C9H12MgO — CID 87590211

IUPACmagnesium;ethanol;methanidylbenzene
SMILES[CH2-]CO.[CH2-]c1ccccc1.[Mg+2]
InChIInChI=1S/C7H7.C2H5O.Mg/c1-7-5-3-2-4-6-7;1-2-3;/h2-6H,1H2;3H,1-2H2;/q2*-1;+2
InChIKeyCZELHSFGVIDOBK-UHFFFAOYSA-N
MW160.50 g/mol
LogP1.30
Rot. Bonds

About magnesium;ethanol;methanidylbenzene

magnesium;ethanol;methanidylbenzene (PubChem CID 87590211) has the molecular formula C9H12MgO and a molecular weight of 160.50 g/mol. Its IUPAC name is magnesium;ethanol;methanidylbenzene.

Molecular Properties

Compound Namemagnesium;ethanol;methanidylbenzene
PubChem CID87590211
Molecular FormulaC9H12MgO
Molecular Weight160.50 g/mol
Exact Mass160.07
IUPAC Namemagnesium;ethanol;methanidylbenzene
SMILES[CH2-]CO.[CH2-]c1ccccc1.[Mg+2]
InChIInChI=1S/C7H7.C2H5O.Mg/c1-7-5-3-2-4-6-7;1-2-3;/h2-6H,1H2;3H,1-2H2;/q2*-1;+2
InChIKeyCZELHSFGVIDOBK-UHFFFAOYSA-N
XLogP1.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.50
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;ethanol;methanidylbenzene?
The IUPAC name of magnesium;ethanol;methanidylbenzene (CID 87590211) is magnesium;ethanol;methanidylbenzene.
What is the SMILES notation for magnesium;ethanol;methanidylbenzene?
The canonical SMILES for magnesium;ethanol;methanidylbenzene is [CH2-]CO.[CH2-]c1ccccc1.[Mg+2].
What is the InChIKey of magnesium;ethanol;methanidylbenzene?
The InChIKey is CZELHSFGVIDOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.C2H5O.Mg/c1-7-5-3-2-4-6-7;1-2-3;/h2-6H,1H2;3H,1-2H2;/q2*-1;+2.
What are the key properties of magnesium;ethanol;methanidylbenzene?
magnesium;ethanol;methanidylbenzene has a molecular weight of 160.50 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethanol;methanidylbenzene is sourced from PubChem (CID 87590211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).