magnesium;butane;pentan-1-olate

C9H20MgO — CID 141190772

IUPACmagnesium;butane;pentan-1-olate
SMILESCCCCC[O-].[CH2-]CCC.[Mg+2]
InChIInChI=1S/C5H11O.C4H9.Mg/c1-2-3-4-5-6;1-3-4-2;/h2-5H2,1H3;1,3-4H2,2H3;/q2*-1;+2
InChIKeyRNYNECGQTVWHPX-UHFFFAOYSA-N
MW168.56 g/mol
LogP1.78
Rot. Bonds4

About magnesium;butane;pentan-1-olate

magnesium;butane;pentan-1-olate (PubChem CID 141190772) has the molecular formula C9H20MgO and a molecular weight of 168.56 g/mol. Its IUPAC name is magnesium;butane;pentan-1-olate.

Molecular Properties

Compound Namemagnesium;butane;pentan-1-olate
PubChem CID141190772
Molecular FormulaC9H20MgO
Molecular Weight168.56 g/mol
Exact Mass168.14
IUPAC Namemagnesium;butane;pentan-1-olate
SMILESCCCCC[O-].[CH2-]CCC.[Mg+2]
InChIInChI=1S/C5H11O.C4H9.Mg/c1-2-3-4-5-6;1-3-4-2;/h2-5H2,1H3;1,3-4H2,2H3;/q2*-1;+2
InChIKeyRNYNECGQTVWHPX-UHFFFAOYSA-N
XLogP1.78
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.56
LogP ≤ 51.78
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;ethane;hexan-1-olate
CID 140967306
magnesium decan-1-olate
CID 3015949
magnesium;butan-1-olate;octan-1-olate
CID 24942472
dimagnesium;butane;heptane
CID 175022489
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
dimagnesium;butane;bis(hexane);propane
CID 173413004
magnesium;butane;octane;hydrochloride
CID 87898861
dimagnesium;pentan-1-olate;dichloride
CID 166060237
magnesium;hexane;pentane
CID 19799394

Frequently Asked Questions

What is the IUPAC name of magnesium;butane;pentan-1-olate?
The IUPAC name of magnesium;butane;pentan-1-olate (CID 141190772) is magnesium;butane;pentan-1-olate.
What is the SMILES notation for magnesium;butane;pentan-1-olate?
The canonical SMILES for magnesium;butane;pentan-1-olate is CCCCC[O-].[CH2-]CCC.[Mg+2].
What is the InChIKey of magnesium;butane;pentan-1-olate?
The InChIKey is RNYNECGQTVWHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.C4H9.Mg/c1-2-3-4-5-6;1-3-4-2;/h2-5H2,1H3;1,3-4H2,2H3;/q2*-1;+2.
What are the key properties of magnesium;butane;pentan-1-olate?
magnesium;butane;pentan-1-olate has a molecular weight of 168.56 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butane;pentan-1-olate is sourced from PubChem (CID 141190772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).