magnesium;butan-1-olate;octan-1-olate

C12H26MgO2 — CID 24942472

IUPACmagnesium;butan-1-olate;octan-1-olate
SMILESCCCCCCCC[O-].CCCC[O-].[Mg+2]
InChIInChI=1S/C8H17O.C4H9O.Mg/c1-2-3-4-5-6-7-8-9;1-2-3-4-5;/h2-8H2,1H3;2-4H2,1H3;/q2*-1;+2
InChIKeyVRZUGJZANQBFRT-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.47
Rot. Bonds8

About magnesium;butan-1-olate;octan-1-olate

magnesium;butan-1-olate;octan-1-olate (PubChem CID 24942472) has the molecular formula C12H26MgO2 and a molecular weight of 226.64 g/mol. Its IUPAC name is magnesium;butan-1-olate;octan-1-olate.

Molecular Properties

Compound Namemagnesium;butan-1-olate;octan-1-olate
PubChem CID24942472
Molecular FormulaC12H26MgO2
Molecular Weight226.64 g/mol
Exact Mass226.18
IUPAC Namemagnesium;butan-1-olate;octan-1-olate
SMILESCCCCCCCC[O-].CCCC[O-].[Mg+2]
InChIInChI=1S/C8H17O.C4H9O.Mg/c1-2-3-4-5-6-7-8-9;1-2-3-4-5;/h2-8H2,1H3;2-4H2,1H3;/q2*-1;+2
InChIKeyVRZUGJZANQBFRT-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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Related Compounds

magnesium decan-1-olate
CID 3015949
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
tris(butan-1-olate);niobium(3+)
CID 161059025
tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
CID 22242269
CID 22242269
trilithium;tris(butan-1-olate)
CID 155673085

Frequently Asked Questions

What is the IUPAC name of magnesium;butan-1-olate;octan-1-olate?
The IUPAC name of magnesium;butan-1-olate;octan-1-olate (CID 24942472) is magnesium;butan-1-olate;octan-1-olate.
What is the SMILES notation for magnesium;butan-1-olate;octan-1-olate?
The canonical SMILES for magnesium;butan-1-olate;octan-1-olate is CCCCCCCC[O-].CCCC[O-].[Mg+2].
What is the InChIKey of magnesium;butan-1-olate;octan-1-olate?
The InChIKey is VRZUGJZANQBFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O.C4H9O.Mg/c1-2-3-4-5-6-7-8-9;1-2-3-4-5;/h2-8H2,1H3;2-4H2,1H3;/q2*-1;+2.
What are the key properties of magnesium;butan-1-olate;octan-1-olate?
magnesium;butan-1-olate;octan-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;butan-1-olate;octan-1-olate is sourced from PubChem (CID 24942472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).