magnesium;octadecanoate;prop-2-enoate

C21H38MgO4 — CID 22987518

IUPACmagnesium;octadecanoate;prop-2-enoate
SMILESC=CC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
InChIInChI=1S/C18H36O2.C3H4O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3(4)5;/h2-17H2,1H3,(H,19,20);2H,1H2,(H,4,5);/q;;+2/p-2
InChIKeyZOMRYXYBXWWXBC-UHFFFAOYSA-L
MW378.84 g/mol
LogP3.54
Rot. Bonds17

About magnesium;octadecanoate;prop-2-enoate

magnesium;octadecanoate;prop-2-enoate (PubChem CID 22987518) has the molecular formula C21H38MgO4 and a molecular weight of 378.84 g/mol. Its IUPAC name is magnesium;octadecanoate;prop-2-enoate.

Molecular Properties

Compound Namemagnesium;octadecanoate;prop-2-enoate
PubChem CID22987518
Molecular FormulaC21H38MgO4
Molecular Weight378.84 g/mol
Exact Mass378.26
IUPAC Namemagnesium;octadecanoate;prop-2-enoate
SMILESC=CC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
InChIInChI=1S/C18H36O2.C3H4O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3(4)5;/h2-17H2,1H3,(H,19,20);2H,1H2,(H,4,5);/q;;+2/p-2
InChIKeyZOMRYXYBXWWXBC-UHFFFAOYSA-L
XLogP3.54
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

copper(1+);octadecanoate;prop-2-enoate
CID 22987501
zinc;nonanoate;prop-2-enoate
CID 161232725
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
calcium;bis(octadecanoate);prop-1-ene
CID 159463768
magnesium;octanoate;chloride
CID 172837629
magnesium;cerium(3+);octadecanoate;oxygen(2-)
CID 160620488
bis(octadecanoate);platinum(2+)
CID 87233709

Frequently Asked Questions

What is the IUPAC name of magnesium;octadecanoate;prop-2-enoate?
The IUPAC name of magnesium;octadecanoate;prop-2-enoate (CID 22987518) is magnesium;octadecanoate;prop-2-enoate.
What is the SMILES notation for magnesium;octadecanoate;prop-2-enoate?
The canonical SMILES for magnesium;octadecanoate;prop-2-enoate is C=CC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium;octadecanoate;prop-2-enoate?
The InChIKey is ZOMRYXYBXWWXBC-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H36O2.C3H4O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3(4)5;/h2-17H2,1H3,(H,19,20);2H,1H2,(H,4,5);/q;;+2/p-2.
What are the key properties of magnesium;octadecanoate;prop-2-enoate?
magnesium;octadecanoate;prop-2-enoate has a molecular weight of 378.84 g/mol, XLogP of 3.54, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;octadecanoate;prop-2-enoate is sourced from PubChem (CID 22987518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).