magnesium bis(hexan-1-olate)

C12H26MgO2 — CID 24940007

IUPACmagnesium bis(hexan-1-olate)
SMILESCCCCCC[O-].CCCCCC[O-].[Mg+2]
InChIInChI=1S/2C6H13O.Mg/c2*1-2-3-4-5-6-7;/h2*2-6H2,1H3;/q2*-1;+2
InChIKeyGOMJHGKTFLDIRI-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.47
Rot. Bonds8

About magnesium bis(hexan-1-olate)

magnesium bis(hexan-1-olate) (PubChem CID 24940007) has the molecular formula C12H26MgO2 and a molecular weight of 226.64 g/mol. Its IUPAC name is magnesium bis(hexan-1-olate).

Molecular Properties

Compound Namemagnesium bis(hexan-1-olate)
PubChem CID24940007
Molecular FormulaC12H26MgO2
Molecular Weight226.64 g/mol
Exact Mass226.18
IUPAC Namemagnesium bis(hexan-1-olate)
SMILESCCCCCC[O-].CCCCCC[O-].[Mg+2]
InChIInChI=1S/2C6H13O.Mg/c2*1-2-3-4-5-6-7;/h2*2-6H2,1H3;/q2*-1;+2
InChIKeyGOMJHGKTFLDIRI-UHFFFAOYSA-N
XLogP1.47
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium bis(hexan-1-olate)?
The IUPAC name of magnesium bis(hexan-1-olate) (CID 24940007) is magnesium bis(hexan-1-olate).
What is the SMILES notation for magnesium bis(hexan-1-olate)?
The canonical SMILES for magnesium bis(hexan-1-olate) is CCCCCC[O-].CCCCCC[O-].[Mg+2].
What is the InChIKey of magnesium bis(hexan-1-olate)?
The InChIKey is GOMJHGKTFLDIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13O.Mg/c2*1-2-3-4-5-6-7;/h2*2-6H2,1H3;/q2*-1;+2.
What are the key properties of magnesium bis(hexan-1-olate)?
magnesium bis(hexan-1-olate) has a molecular weight of 226.64 g/mol, XLogP of 1.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(hexan-1-olate) is sourced from PubChem (CID 24940007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).