magnesium;hydride;octadec-9-enoic acid

C18H36MgO2 — CID 172995606

IUPACmagnesium;hydride;octadec-9-enoic acid
SMILESCCCCCCCCC=CCCCCCCCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C18H34O2.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;;/q;+2;2*-1
InChIKeyCQBHWKADBKNDHJ-UHFFFAOYSA-N
MW308.79 g/mol
LogP5.95
Rot. Bonds15

About magnesium;hydride;octadec-9-enoic acid

magnesium;hydride;octadec-9-enoic acid (PubChem CID 172995606) has the molecular formula C18H36MgO2 and a molecular weight of 308.79 g/mol. Its IUPAC name is magnesium;hydride;octadec-9-enoic acid.

Molecular Properties

Compound Namemagnesium;hydride;octadec-9-enoic acid
PubChem CID172995606
Molecular FormulaC18H36MgO2
Molecular Weight308.79 g/mol
Exact Mass308.26
IUPAC Namemagnesium;hydride;octadec-9-enoic acid
SMILESCCCCCCCCC=CCCCCCCCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C18H34O2.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;;/q;+2;2*-1
InChIKeyCQBHWKADBKNDHJ-UHFFFAOYSA-N
XLogP5.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.79
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;(Z)-octadec-9-enoic acid
CID 172995005
dilithium;hydride;(Z)-octadec-9-enoic acid
CID 174491446
sodium;hexadec-9-enoic acid;hydride
CID 172998914
calcium;hexadec-9-enoic acid;hydride
CID 173150925
calcium;(Z)-hexadec-9-enoic acid;hydride
CID 174048732
potassium;hydride;(Z)-tetracos-15-enoic acid
CID 174974374
docos-13-enoic acid
CID 173024393
nonacos-6-enoic acid
CID 169277319
octadecanoic acid;bis((Z)-octadec-9-enoic acid)
CID 88752533
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(E)-hexadec-8-enoic acid
CID 6430788

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;octadec-9-enoic acid?
The IUPAC name of magnesium;hydride;octadec-9-enoic acid (CID 172995606) is magnesium;hydride;octadec-9-enoic acid.
What is the SMILES notation for magnesium;hydride;octadec-9-enoic acid?
The canonical SMILES for magnesium;hydride;octadec-9-enoic acid is CCCCCCCCC=CCCCCCCCC(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;octadec-9-enoic acid?
The InChIKey is CQBHWKADBKNDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;octadec-9-enoic acid?
magnesium;hydride;octadec-9-enoic acid has a molecular weight of 308.79 g/mol, XLogP of 5.95, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;octadec-9-enoic acid is sourced from PubChem (CID 172995606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).