magnesium;benzene;ethanol

C8H11MgO+ — CID 173021223

IUPACmagnesium;benzene;ethanol
SMILESCCO.[Mg+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C2H6O.Mg/c1-2-4-6-5-3-1;1-2-3;/h1-5H;3H,2H2,1H3;/q-1;;+2
InChIKeyZMKODNLEHICYAU-UHFFFAOYSA-N
MW147.48 g/mol
LogP1.10
Rot. Bonds

About magnesium;benzene;ethanol

magnesium;benzene;ethanol (PubChem CID 173021223) has the molecular formula C8H11MgO+ and a molecular weight of 147.48 g/mol. Its IUPAC name is magnesium;benzene;ethanol.

Molecular Properties

Compound Namemagnesium;benzene;ethanol
PubChem CID173021223
Molecular FormulaC8H11MgO+
Molecular Weight147.48 g/mol
Exact Mass147.07
IUPAC Namemagnesium;benzene;ethanol
SMILESCCO.[Mg+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C2H6O.Mg/c1-2-4-6-5-3-1;1-2-3;/h1-5H;3H,2H2,1H3;/q-1;;+2
InChIKeyZMKODNLEHICYAU-UHFFFAOYSA-N
XLogP1.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.48
LogP ≤ 51.10
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;benzene;ethanol?
The IUPAC name of magnesium;benzene;ethanol (CID 173021223) is magnesium;benzene;ethanol.
What is the SMILES notation for magnesium;benzene;ethanol?
The canonical SMILES for magnesium;benzene;ethanol is CCO.[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;ethanol?
The InChIKey is ZMKODNLEHICYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C2H6O.Mg/c1-2-4-6-5-3-1;1-2-3;/h1-5H;3H,2H2,1H3;/q-1;;+2.
What are the key properties of magnesium;benzene;ethanol?
magnesium;benzene;ethanol has a molecular weight of 147.48 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;ethanol is sourced from PubChem (CID 173021223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).