magnesium;octanoate;chloride

C8H15ClMgO2 — CID 172837629

IUPACmagnesium;octanoate;chloride
SMILESCCCCCCCC(=O)[O-].[Cl-].[Mg+2]
InChIInChI=1S/C8H16O2.ClH.Mg/c1-2-3-4-5-6-7-8(9)10;;/h2-7H2,1H3,(H,9,10);1H;/q;;+2/p-2
InChIKeyWJEZHBRWNWTEMW-UHFFFAOYSA-L
MW202.96 g/mol
LogP-2.28
Rot. Bonds6

About magnesium;octanoate;chloride

magnesium;octanoate;chloride (PubChem CID 172837629) has the molecular formula C8H15ClMgO2 and a molecular weight of 202.96 g/mol. Its IUPAC name is magnesium;octanoate;chloride.

Molecular Properties

Compound Namemagnesium;octanoate;chloride
PubChem CID172837629
Molecular FormulaC8H15ClMgO2
Molecular Weight202.96 g/mol
Exact Mass202.06
IUPAC Namemagnesium;octanoate;chloride
SMILESCCCCCCCC(=O)[O-].[Cl-].[Mg+2]
InChIInChI=1S/C8H16O2.ClH.Mg/c1-2-3-4-5-6-7-8(9)10;;/h2-7H2,1H3,(H,9,10);1H;/q;;+2/p-2
InChIKeyWJEZHBRWNWTEMW-UHFFFAOYSA-L
XLogP-2.28
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.96
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

magnesium bis(undecanoate)
CID 87902169
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
dimagnesium bis(octadecanoate)
CID 19043233
dimagnesium;tetrakis(octanoate)
CID 160745729
trimagnesium;tris(octadecanoate)
CID 159626374
magnesium;cerium(3+);octadecanoate;oxygen(2-)
CID 160620488
dicalcium;octadecanoate;chloride
CID 161460201
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
calcium;hexadecanoate;octadecanoate
CID 22065418

Frequently Asked Questions

What is the IUPAC name of magnesium;octanoate;chloride?
The IUPAC name of magnesium;octanoate;chloride (CID 172837629) is magnesium;octanoate;chloride.
What is the SMILES notation for magnesium;octanoate;chloride?
The canonical SMILES for magnesium;octanoate;chloride is CCCCCCCC(=O)[O-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;octanoate;chloride?
The InChIKey is WJEZHBRWNWTEMW-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H16O2.ClH.Mg/c1-2-3-4-5-6-7-8(9)10;;/h2-7H2,1H3,(H,9,10);1H;/q;;+2/p-2.
What are the key properties of magnesium;octanoate;chloride?
magnesium;octanoate;chloride has a molecular weight of 202.96 g/mol, XLogP of -2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;octanoate;chloride is sourced from PubChem (CID 172837629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).