magnesium;1,3-dimethylbenzene-5-ide;ethane

C10H14Mg — CID 174288802

IUPACmagnesium;1,3-dimethylbenzene-5-ide;ethane
SMILESCc1c[c-]cc(C)c1.[CH2-]C.[Mg+2]
InChIInChI=1S/C8H9.C2H5.Mg/c1-7-4-3-5-8(2)6-7;1-2;/h4-6H,1-2H3;1H2,2H3;/q2*-1;+2
InChIKeyZMLIDTBUHCMUNH-UHFFFAOYSA-N
MW158.53 g/mol
LogP2.56
Rot. Bonds

About magnesium;1,3-dimethylbenzene-5-ide;ethane

magnesium;1,3-dimethylbenzene-5-ide;ethane (PubChem CID 174288802) has the molecular formula C10H14Mg and a molecular weight of 158.53 g/mol. Its IUPAC name is magnesium;1,3-dimethylbenzene-5-ide;ethane.

Molecular Properties

Compound Namemagnesium;1,3-dimethylbenzene-5-ide;ethane
PubChem CID174288802
Molecular FormulaC10H14Mg
Molecular Weight158.53 g/mol
Exact Mass158.09
IUPAC Namemagnesium;1,3-dimethylbenzene-5-ide;ethane
SMILESCc1c[c-]cc(C)c1.[CH2-]C.[Mg+2]
InChIInChI=1S/C8H9.C2H5.Mg/c1-7-4-3-5-8(2)6-7;1-2;/h4-6H,1-2H3;1H2,2H3;/q2*-1;+2
InChIKeyZMLIDTBUHCMUNH-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.53
LogP ≤ 52.56
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-dimethylbenzene-5-ide;ethane?
The IUPAC name of magnesium;1,3-dimethylbenzene-5-ide;ethane (CID 174288802) is magnesium;1,3-dimethylbenzene-5-ide;ethane.
What is the SMILES notation for magnesium;1,3-dimethylbenzene-5-ide;ethane?
The canonical SMILES for magnesium;1,3-dimethylbenzene-5-ide;ethane is Cc1c[c-]cc(C)c1.[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;1,3-dimethylbenzene-5-ide;ethane?
The InChIKey is ZMLIDTBUHCMUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C2H5.Mg/c1-7-4-3-5-8(2)6-7;1-2;/h4-6H,1-2H3;1H2,2H3;/q2*-1;+2.
What are the key properties of magnesium;1,3-dimethylbenzene-5-ide;ethane?
magnesium;1,3-dimethylbenzene-5-ide;ethane has a molecular weight of 158.53 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-dimethylbenzene-5-ide;ethane is sourced from PubChem (CID 174288802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).