magnesium;ethane;hexan-1-olate

C8H18MgO — CID 140967306

IUPACmagnesium;ethane;hexan-1-olate
SMILESCCCCCC[O-].[CH2-]C.[Mg+2]
InChIInChI=1S/C6H13O.C2H5.Mg/c1-2-3-4-5-6-7;1-2;/h2-6H2,1H3;1H2,2H3;/q2*-1;+2
InChIKeyMJARJWVJPABGRG-UHFFFAOYSA-N
MW154.54 g/mol
LogP1.39
Rot. Bonds4

About magnesium;ethane;hexan-1-olate

magnesium;ethane;hexan-1-olate (PubChem CID 140967306) has the molecular formula C8H18MgO and a molecular weight of 154.54 g/mol. Its IUPAC name is magnesium;ethane;hexan-1-olate.

Molecular Properties

Compound Namemagnesium;ethane;hexan-1-olate
PubChem CID140967306
Molecular FormulaC8H18MgO
Molecular Weight154.54 g/mol
Exact Mass154.12
IUPAC Namemagnesium;ethane;hexan-1-olate
SMILESCCCCCC[O-].[CH2-]C.[Mg+2]
InChIInChI=1S/C6H13O.C2H5.Mg/c1-2-3-4-5-6-7;1-2;/h2-6H2,1H3;1H2,2H3;/q2*-1;+2
InChIKeyMJARJWVJPABGRG-UHFFFAOYSA-N
XLogP1.39
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.54
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

magnesium decan-1-olate
CID 3015949
magnesium;butan-1-olate;octan-1-olate
CID 24942472
barium(2+);bis(octadecan-1-olate)
CID 23324389
sodium octadecan-1-olate
CID 23689332
calcium bis(decan-1-olate)
CID 141290490
calcium bis(octan-1-olate)
CID 87749670
magnesium;butane;pentan-1-olate
CID 141190772
decan-1-olate;bis(trimethylazanium);chloride
CID 141321168
aluminum;hexan-1-olate;bis(propan-2-olate)
CID 102269267
tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))
CID 20838913
lithium (Z)-octadec-9-en-1-olate
CID 135077819
sodium;sulfuric acid;tridecan-1-olate
CID 175074836

Frequently Asked Questions

What is the IUPAC name of magnesium;ethane;hexan-1-olate?
The IUPAC name of magnesium;ethane;hexan-1-olate (CID 140967306) is magnesium;ethane;hexan-1-olate.
What is the SMILES notation for magnesium;ethane;hexan-1-olate?
The canonical SMILES for magnesium;ethane;hexan-1-olate is CCCCCC[O-].[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;ethane;hexan-1-olate?
The InChIKey is MJARJWVJPABGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.C2H5.Mg/c1-2-3-4-5-6-7;1-2;/h2-6H2,1H3;1H2,2H3;/q2*-1;+2.
What are the key properties of magnesium;ethane;hexan-1-olate?
magnesium;ethane;hexan-1-olate has a molecular weight of 154.54 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethane;hexan-1-olate is sourced from PubChem (CID 140967306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).