magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide

C10H15BrMgO2 — CID 158500528

IUPACmagnesium;ethyne;pent-1-yn-3-ol;propanal;bromide
SMILESC#CC(O)CC.CCC=O.[Br-].[C-]#C.[Mg+2]
InChIInChI=1S/C5H8O.C3H6O.C2H.BrH.Mg/c1-3-5(6)4-2;1-2-3-4;1-2;;/h1,5-6H,4H2,2H3;3H,2H2,1H3;1H;1H;/q;;-1;;+2/p-1
InChIKeyQNGUHZNZCPULGD-UHFFFAOYSA-M
MW271.44 g/mol
LogP-2.19
Rot. Bonds2

About magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide

magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide (PubChem CID 158500528) has the molecular formula C10H15BrMgO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide.

Molecular Properties

Compound Namemagnesium;ethyne;pent-1-yn-3-ol;propanal;bromide
PubChem CID158500528
Molecular FormulaC10H15BrMgO2
Molecular Weight271.44 g/mol
Exact Mass270.01
IUPAC Namemagnesium;ethyne;pent-1-yn-3-ol;propanal;bromide
SMILESC#CC(O)CC.CCC=O.[Br-].[C-]#C.[Mg+2]
InChIInChI=1S/C5H8O.C3H6O.C2H.BrH.Mg/c1-3-5(6)4-2;1-2-3-4;1-2;;/h1,5-6H,4H2,2H3;3H,2H2,1H3;1H;1H;/q;;-1;;+2/p-1
InChIKeyQNGUHZNZCPULGD-UHFFFAOYSA-M
XLogP-2.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide?
The IUPAC name of magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide (CID 158500528) is magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide.
What is the SMILES notation for magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide?
The canonical SMILES for magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide is C#CC(O)CC.CCC=O.[Br-].[C-]#C.[Mg+2].
What is the InChIKey of magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide?
The InChIKey is QNGUHZNZCPULGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O.C3H6O.C2H.BrH.Mg/c1-3-5(6)4-2;1-2-3-4;1-2;;/h1,5-6H,4H2,2H3;3H,2H2,1H3;1H;1H;/q;;-1;;+2/p-1.
What are the key properties of magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide?
magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide has a molecular weight of 271.44 g/mol, XLogP of -2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethyne;pent-1-yn-3-ol;propanal;bromide is sourced from PubChem (CID 158500528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).