magnesium decan-1-olate

C10H21MgO+ — CID 3015949

IUPACmagnesium decan-1-olate
SMILESCCCCCCCCCC[O-].[Mg+2]
InChIInChI=1S/C10H21O.Mg/c1-2-3-4-5-6-7-8-9-10-11;/h2-10H2,1H3;/q-1;+2
InChIKeyZTBWYWGBTKZODU-UHFFFAOYSA-N
MW181.58 g/mol
LogP2.11
Rot. Bonds8

About magnesium decan-1-olate

magnesium decan-1-olate (PubChem CID 3015949) has the molecular formula C10H21MgO+ and a molecular weight of 181.58 g/mol. Its IUPAC name is magnesium decan-1-olate.

Molecular Properties

Compound Namemagnesium decan-1-olate
PubChem CID3015949
Molecular FormulaC10H21MgO+
Molecular Weight181.58 g/mol
Exact Mass181.14
IUPAC Namemagnesium decan-1-olate
SMILESCCCCCCCCCC[O-].[Mg+2]
InChIInChI=1S/C10H21O.Mg/c1-2-3-4-5-6-7-8-9-10-11;/h2-10H2,1H3;/q-1;+2
InChIKeyZTBWYWGBTKZODU-UHFFFAOYSA-N
XLogP2.11
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.58
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

magnesium;butan-1-olate;octan-1-olate
CID 24942472
magnesium;ethane;hexan-1-olate
CID 140967306
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
decan-1-olate;bis(trimethylazanium);chloride
CID 141321168
magnesium;butane;pentan-1-olate
CID 141190772
aluminum;hexan-1-olate;bis(propan-2-olate)
CID 102269267
tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))
CID 20838913
sodium;sulfuric acid;tridecan-1-olate
CID 175074836
lithium (Z)-octadec-9-en-1-olate
CID 135077819

Frequently Asked Questions

What is the IUPAC name of magnesium decan-1-olate?
The IUPAC name of magnesium decan-1-olate (CID 3015949) is magnesium decan-1-olate.
What is the SMILES notation for magnesium decan-1-olate?
The canonical SMILES for magnesium decan-1-olate is CCCCCCCCCC[O-].[Mg+2].
What is the InChIKey of magnesium decan-1-olate?
The InChIKey is ZTBWYWGBTKZODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O.Mg/c1-2-3-4-5-6-7-8-9-10-11;/h2-10H2,1H3;/q-1;+2.
What are the key properties of magnesium decan-1-olate?
magnesium decan-1-olate has a molecular weight of 181.58 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium decan-1-olate is sourced from PubChem (CID 3015949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).