magnesium bis(2-propylpentanoate)

C16H30MgO4 — CID 13327120

IUPACmagnesium bis(2-propylpentanoate)
SMILESCCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C8H16O2.Mg/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyLKLLHOIUJVEAGU-UHFFFAOYSA-L
MW310.72 g/mol
LogP1.52
Rot. Bonds10

About magnesium bis(2-propylpentanoate)

magnesium bis(2-propylpentanoate) (PubChem CID 13327120) has the molecular formula C16H30MgO4 and a molecular weight of 310.72 g/mol. Its IUPAC name is magnesium bis(2-propylpentanoate).

Molecular Properties

Compound Namemagnesium bis(2-propylpentanoate)
PubChem CID13327120
Molecular FormulaC16H30MgO4
Molecular Weight310.72 g/mol
Exact Mass310.20
IUPAC Namemagnesium bis(2-propylpentanoate)
SMILESCCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C8H16O2.Mg/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyLKLLHOIUJVEAGU-UHFFFAOYSA-L
XLogP1.52
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.72
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dilithium bis(2-propylpentanoate)
CID 140557398
magnesium bis(2-propyldodecanoate)
CID 21393972
sodium 5-hydroxy-5-oxo-2-propylpentanoate
CID 159698974
2-(methoxymethyl)pentanoate
CID 19753396
dilithium;2-oxo-4-propylpentanedioate
CID 11805719
sodium (2R)-7-oxo-2-propyloctanoate
CID 87583570
sodium 6-methoxy-2-propylhexanoate
CID 59946152
magnesium bis(2-methylpentanoate)
CID 140813982
2-butylnonanoate
CID 20977072
(2S)-2-butyloctanoate
CID 86308644
sodium 2-(2-cyclohexylethyl)pentanoate
CID 23662839
lithium 2-ethylbutanoate
CID 23681528

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-propylpentanoate)?
The IUPAC name of magnesium bis(2-propylpentanoate) (CID 13327120) is magnesium bis(2-propylpentanoate).
What is the SMILES notation for magnesium bis(2-propylpentanoate)?
The canonical SMILES for magnesium bis(2-propylpentanoate) is CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-propylpentanoate)?
The InChIKey is LKLLHOIUJVEAGU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.Mg/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2.
What are the key properties of magnesium bis(2-propylpentanoate)?
magnesium bis(2-propylpentanoate) has a molecular weight of 310.72 g/mol, XLogP of 1.52, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-propylpentanoate) is sourced from PubChem (CID 13327120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).