magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide

C9H15BrMgO3 — CID 134847439

IUPACmagnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide
SMILESCC(=O)/C=C\[C@H]([O-])CC[C@@H](C)O.[Br-].[Mg+2]
InChIInChI=1S/C9H15O3.BrH.Mg/c1-7(10)3-5-9(12)6-4-8(2)11;;/h3,5,8-9,11H,4,6H2,1-2H3;1H;/q-1;;+2/p-1/b5-3-;;/t8-,9+;;/m1../s1
InChIKeyWLHNKIHIVNSDSX-ACXXXGJWSA-M
MW275.43 g/mol
LogP-3.36
Rot. Bonds5

About magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide

magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide (PubChem CID 134847439) has the molecular formula C9H15BrMgO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide.

Molecular Properties

Compound Namemagnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide
PubChem CID134847439
Molecular FormulaC9H15BrMgO3
Molecular Weight275.43 g/mol
Exact Mass274.01
IUPAC Namemagnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide
SMILESCC(=O)/C=C\[C@H]([O-])CC[C@@H](C)O.[Br-].[Mg+2]
InChIInChI=1S/C9H15O3.BrH.Mg/c1-7(10)3-5-9(12)6-4-8(2)11;;/h3,5,8-9,11H,4,6H2,1-2H3;1H;/q-1;;+2/p-1/b5-3-;;/t8-,9+;;/m1../s1
InChIKeyWLHNKIHIVNSDSX-ACXXXGJWSA-M
XLogP-3.36
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 5-3.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,5R,8R)-5,8-dihydroxynon-3-en-2-one
CID 10866796
(Z,5R)-5-hydroxyhex-3-en-2-one
CID 59975420
(E,5S)-5-hydroxyhex-3-en-2-one
CID 10678210
acetic acid;hexane-2,5-diol
CID 71365730
(E)-6-hydroxy-5-methyloct-3-en-2-one
CID 21022275
(E)-5-ethylhept-3-en-2-one
CID 5463478
5-hydroxyhept-3-en-2-one
CID 74046190
(E)-5-hydroxy-6-methyldec-3-en-2-one
CID 87292051
5-methylhex-3-en-2-one;palladium(2+);dichloride
CID 173341273
2,5-dihydroxyhexanoic acid
CID 18424665
(E)-5-hydroxy-7,8-dimethylnon-3-en-2-one
CID 87291906
ethane;hexane-2,5-diol
CID 143963822

Frequently Asked Questions

What is the IUPAC name of magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide?
The IUPAC name of magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide (CID 134847439) is magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide.
What is the SMILES notation for magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide?
The canonical SMILES for magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide is CC(=O)/C=C\[C@H]([O-])CC[C@@H](C)O.[Br-].[Mg+2].
What is the InChIKey of magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide?
The InChIKey is WLHNKIHIVNSDSX-ACXXXGJWSA-M. The full InChI is InChI=1S/C9H15O3.BrH.Mg/c1-7(10)3-5-9(12)6-4-8(2)11;;/h3,5,8-9,11H,4,6H2,1-2H3;1H;/q-1;;+2/p-1/b5-3-;;/t8-,9+;;/m1../s1.
What are the key properties of magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide?
magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide has a molecular weight of 275.43 g/mol, XLogP of -3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(Z,5R,8R)-8-hydroxy-2-oxonon-3-en-5-olate;bromide is sourced from PubChem (CID 134847439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).