magnesium bis(5-propyloctanoate)

C22H42MgO4 — CID 88756232

IUPACmagnesium bis(5-propyloctanoate)
SMILESCCCC(CCC)CCCC(=O)[O-].CCCC(CCC)CCCC(=O)[O-].[Mg+2]
InChIInChI=1S/2C11H22O2.Mg/c2*1-3-6-10(7-4-2)8-5-9-11(12)13;/h2*10H,3-9H2,1-2H3,(H,12,13);/q;;+2/p-2
InChIKeyCWJNCUIIJXNLTH-UHFFFAOYSA-L
MW394.88 g/mol
LogP3.87
Rot. Bonds16

About magnesium bis(5-propyloctanoate)

magnesium bis(5-propyloctanoate) (PubChem CID 88756232) has the molecular formula C22H42MgO4 and a molecular weight of 394.88 g/mol. Its IUPAC name is magnesium bis(5-propyloctanoate).

Molecular Properties

Compound Namemagnesium bis(5-propyloctanoate)
PubChem CID88756232
Molecular FormulaC22H42MgO4
Molecular Weight394.88 g/mol
Exact Mass394.29
IUPAC Namemagnesium bis(5-propyloctanoate)
SMILESCCCC(CCC)CCCC(=O)[O-].CCCC(CCC)CCCC(=O)[O-].[Mg+2]
InChIInChI=1S/2C11H22O2.Mg/c2*1-3-6-10(7-4-2)8-5-9-11(12)13;/h2*10H,3-9H2,1-2H3,(H,12,13);/q;;+2/p-2
InChIKeyCWJNCUIIJXNLTH-UHFFFAOYSA-L
XLogP3.87
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 6-propylnonanoate
CID 139616672
magnesium bis(3-propylhexanoate)
CID 88756226
5-sulfanylnonanoate
CID 20837855
sodium 9-ethyloctadecanoate
CID 23382374
magnesium bis(undecanoate)
CID 87902169
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
magnesium;hexanoate;bromide
CID 175219586
dimagnesium bis(octadecanoate)
CID 19043233
dimagnesium;tetrakis(octanoate)
CID 160745729
trimagnesium;tris(octadecanoate)
CID 159626374
silyl 5-propyloctanoate
CID 174709866

Frequently Asked Questions

What is the IUPAC name of magnesium bis(5-propyloctanoate)?
The IUPAC name of magnesium bis(5-propyloctanoate) (CID 88756232) is magnesium bis(5-propyloctanoate).
What is the SMILES notation for magnesium bis(5-propyloctanoate)?
The canonical SMILES for magnesium bis(5-propyloctanoate) is CCCC(CCC)CCCC(=O)[O-].CCCC(CCC)CCCC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(5-propyloctanoate)?
The InChIKey is CWJNCUIIJXNLTH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H22O2.Mg/c2*1-3-6-10(7-4-2)8-5-9-11(12)13;/h2*10H,3-9H2,1-2H3,(H,12,13);/q;;+2/p-2.
What are the key properties of magnesium bis(5-propyloctanoate)?
magnesium bis(5-propyloctanoate) has a molecular weight of 394.88 g/mol, XLogP of 3.87, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(5-propyloctanoate) is sourced from PubChem (CID 88756232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).