magnesium;butanoic acid;cyclohexane;hydride

C10H22MgO2 — CID 174620918

IUPACmagnesium;butanoic acid;cyclohexane;hydride
SMILESC1CCCCC1.CCCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H12.C4H8O2.Mg.2H/c1-2-4-6-5-3-1;1-2-3-4(5)6;;;/h1-6H2;2-3H2,1H3,(H,5,6);;;/q;;+2;2*-1
InChIKeyYOEKQNMGEHMONE-UHFFFAOYSA-N
MW198.59 g/mol
LogP3.06
Rot. Bonds2

About magnesium;butanoic acid;cyclohexane;hydride

magnesium;butanoic acid;cyclohexane;hydride (PubChem CID 174620918) has the molecular formula C10H22MgO2 and a molecular weight of 198.59 g/mol. Its IUPAC name is magnesium;butanoic acid;cyclohexane;hydride.

Molecular Properties

Compound Namemagnesium;butanoic acid;cyclohexane;hydride
PubChem CID174620918
Molecular FormulaC10H22MgO2
Molecular Weight198.59 g/mol
Exact Mass198.15
IUPAC Namemagnesium;butanoic acid;cyclohexane;hydride
SMILESC1CCCCC1.CCCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H12.C4H8O2.Mg.2H/c1-2-4-6-5-3-1;1-2-3-4(5)6;;;/h1-6H2;2-3H2,1H3,(H,5,6);;;/q;;+2;2*-1
InChIKeyYOEKQNMGEHMONE-UHFFFAOYSA-N
XLogP3.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of magnesium;butanoic acid;cyclohexane;hydride?
The IUPAC name of magnesium;butanoic acid;cyclohexane;hydride (CID 174620918) is magnesium;butanoic acid;cyclohexane;hydride.
What is the SMILES notation for magnesium;butanoic acid;cyclohexane;hydride?
The canonical SMILES for magnesium;butanoic acid;cyclohexane;hydride is C1CCCCC1.CCCC(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;butanoic acid;cyclohexane;hydride?
The InChIKey is YOEKQNMGEHMONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8O2.Mg.2H/c1-2-4-6-5-3-1;1-2-3-4(5)6;;;/h1-6H2;2-3H2,1H3,(H,5,6);;;/q;;+2;2*-1.
What are the key properties of magnesium;butanoic acid;cyclohexane;hydride?
magnesium;butanoic acid;cyclohexane;hydride has a molecular weight of 198.59 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butanoic acid;cyclohexane;hydride is sourced from PubChem (CID 174620918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).