magnesium bis(2-methylnonanoate)

C20H38MgO4 — CID 175226104

IUPACmagnesium bis(2-methylnonanoate)
SMILESCCCCCCCC(C)C(=O)[O-].CCCCCCCC(C)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C10H20O2.Mg/c2*1-3-4-5-6-7-8-9(2)10(11)12;/h2*9H,3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
InChIKeyGEWGOVJJZQDLNB-UHFFFAOYSA-L
MW366.83 g/mol
LogP3.09
Rot. Bonds14

About magnesium bis(2-methylnonanoate)

magnesium bis(2-methylnonanoate) (PubChem CID 175226104) has the molecular formula C20H38MgO4 and a molecular weight of 366.83 g/mol. Its IUPAC name is magnesium bis(2-methylnonanoate).

Molecular Properties

Compound Namemagnesium bis(2-methylnonanoate)
PubChem CID175226104
Molecular FormulaC20H38MgO4
Molecular Weight366.83 g/mol
Exact Mass366.26
IUPAC Namemagnesium bis(2-methylnonanoate)
SMILESCCCCCCCC(C)C(=O)[O-].CCCCCCCC(C)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C10H20O2.Mg/c2*1-3-4-5-6-7-8-9(2)10(11)12;/h2*9H,3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
InChIKeyGEWGOVJJZQDLNB-UHFFFAOYSA-L
XLogP3.09
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methylhexanoate
CID 6999857
copper bis(2-methylhexanoate)
CID 19768945
1,1'-biphenyl;2-methyloctanoate
CID 22157313
2,4-dimethylicosanoate
CID 102514957
magnesium bis(2-methylpentanoate)
CID 140813982
6-hydroxy-2,6,10-trimethylpentadecanoate
CID 59229455
6,10-dihydroxy-2,6,10-trimethylpentadecanoate
CID 59229283
3-methyloctadecan-2-one
CID 89177698
2,3-dioctadecylbutanedioate
CID 21183582
3-methylundecan-2-one
CID 12634600
3-methyltridecan-2-one
CID 58341645
heptane;2-methylheptadecanoic acid
CID 175511035

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-methylnonanoate)?
The IUPAC name of magnesium bis(2-methylnonanoate) (CID 175226104) is magnesium bis(2-methylnonanoate).
What is the SMILES notation for magnesium bis(2-methylnonanoate)?
The canonical SMILES for magnesium bis(2-methylnonanoate) is CCCCCCCC(C)C(=O)[O-].CCCCCCCC(C)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-methylnonanoate)?
The InChIKey is GEWGOVJJZQDLNB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H20O2.Mg/c2*1-3-4-5-6-7-8-9(2)10(11)12;/h2*9H,3-8H2,1-2H3,(H,11,12);/q;;+2/p-2.
What are the key properties of magnesium bis(2-methylnonanoate)?
magnesium bis(2-methylnonanoate) has a molecular weight of 366.83 g/mol, XLogP of 3.09, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-methylnonanoate) is sourced from PubChem (CID 175226104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).