magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride

C20H38MgO4 — CID 173357787

IUPACmagnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride
SMILESCCCCCCCCCCCCCC/C=C/OC(=O)CCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C20H36O4.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;;;/h15,18H,2-14,16-17H2,1H3,(H,21,22);;;/q;+2;2*-1/b18-15+;;;
InChIKeyIGCXKADOXWVSNW-HEGNYKQFSA-N
MW366.83 g/mol
LogP5.84
Rot. Bonds17

About magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride

magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride (PubChem CID 173357787) has the molecular formula C20H38MgO4 and a molecular weight of 366.83 g/mol. Its IUPAC name is magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride.

Molecular Properties

Compound Namemagnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride
PubChem CID173357787
Molecular FormulaC20H38MgO4
Molecular Weight366.83 g/mol
Exact Mass366.26
IUPAC Namemagnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride
SMILESCCCCCCCCCCCCCC/C=C/OC(=O)CCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C20H36O4.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;;;/h15,18H,2-14,16-17H2,1H3,(H,21,22);;;/q;+2;2*-1/b18-15+;;;
InChIKeyIGCXKADOXWVSNW-HEGNYKQFSA-N
XLogP5.84
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.83
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

barium(2+);hydride;4-oct-1-enoxy-4-oxobutanoic acid
CID 174053288
4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid
CID 19733981
alumane;4-oct-1-enoxy-4-oxobutanoic acid
CID 173019028
dipotassium;bis(octadec-1-enyl) butanedioate;hydride
CID 174812028
docos-1-enyl tetradecanoate
CID 141143815
octadec-1-enyl tetradecanoate
CID 71417711
undec-1-enyl pentanoate
CID 150139235
4-[(E)-dodec-1-enoxy]-4-oxobutanoic acid;phenylmercury
CID 70400786
2-(4-oct-1-enoxy-4-oxobutanoyl)oxyacetic acid
CID 175185141
tetracos-1-enyl (Z)-octadec-9-enoate
CID 174158582
[(E)-hex-1-enyl] heptacosanoate
CID 102118777
potassium 4-hexadec-1-enoxy-4-oxobutanoate
CID 162304251

Frequently Asked Questions

What is the IUPAC name of magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride?
The IUPAC name of magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride (CID 173357787) is magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride.
What is the SMILES notation for magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride?
The canonical SMILES for magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride is CCCCCCCCCCCCCC/C=C/OC(=O)CCC(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride?
The InChIKey is IGCXKADOXWVSNW-HEGNYKQFSA-N. The full InChI is InChI=1S/C20H36O4.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;;;/h15,18H,2-14,16-17H2,1H3,(H,21,22);;;/q;+2;2*-1/b18-15+;;;.
What are the key properties of magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride?
magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride has a molecular weight of 366.83 g/mol, XLogP of 5.84, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid;hydride is sourced from PubChem (CID 173357787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).