magnesium bis(2-methylbutanoate)

C10H18MgO4 — CID 88739715

IUPACmagnesium bis(2-methylbutanoate)
SMILESCCC(C)C(=O)[O-].CCC(C)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C5H10O2.Mg/c2*1-3-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);/q;;+2/p-2
InChIKeyIHGPBCFVTPJSSI-UHFFFAOYSA-L
MW226.55 g/mol
LogP-0.82
Rot. Bonds4

About magnesium bis(2-methylbutanoate)

magnesium bis(2-methylbutanoate) (PubChem CID 88739715) has the molecular formula C10H18MgO4 and a molecular weight of 226.55 g/mol. Its IUPAC name is magnesium bis(2-methylbutanoate).

Molecular Properties

Compound Namemagnesium bis(2-methylbutanoate)
PubChem CID88739715
Molecular FormulaC10H18MgO4
Molecular Weight226.55 g/mol
Exact Mass226.11
IUPAC Namemagnesium bis(2-methylbutanoate)
SMILESCCC(C)C(=O)[O-].CCC(C)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C5H10O2.Mg/c2*1-3-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);/q;;+2/p-2
InChIKeyIHGPBCFVTPJSSI-UHFFFAOYSA-L
XLogP-0.82
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.55
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylbutanoate
CID 91073357
cobalt(2+);bis((2R)-2-methylbutanoate)
CID 90199434
bis(2-methylbutanoate);niobium(2+)
CID 18939928
magnesium bis(2-methylpentanoate)
CID 140813982
2-methylbutanoate;tetrakis(3-methylbutyl)azanium
CID 155660503
magnesium 2-ethylpropanedioate
CID 22261989
lithium 2-ethyl-4-methylpentanedioate
CID 140808023
lithium 2-methylpentanoate
CID 122554466
magnesium bis(2-methylnonanoate)
CID 175226104
3-iodo-2-methylpropanoate
CID 19426736
(2R)-2-methylhexanoate
CID 6999857
copper bis(2-methylhexanoate)
CID 19768945

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-methylbutanoate)?
The IUPAC name of magnesium bis(2-methylbutanoate) (CID 88739715) is magnesium bis(2-methylbutanoate).
What is the SMILES notation for magnesium bis(2-methylbutanoate)?
The canonical SMILES for magnesium bis(2-methylbutanoate) is CCC(C)C(=O)[O-].CCC(C)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-methylbutanoate)?
The InChIKey is IHGPBCFVTPJSSI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O2.Mg/c2*1-3-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);/q;;+2/p-2.
What are the key properties of magnesium bis(2-methylbutanoate)?
magnesium bis(2-methylbutanoate) has a molecular weight of 226.55 g/mol, XLogP of -0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-methylbutanoate) is sourced from PubChem (CID 88739715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).