magnesium;butane;pent-1-yne

C9H16Mg — CID 78060788

IUPACmagnesium;butane;pent-1-yne
SMILES[C-]#CCCC.[CH2-]CCC.[Mg+2]
InChIInChI=1S/C5H7.C4H9.Mg/c1-3-5-4-2;1-3-4-2;/h3,5H2,1H3;1,3-4H2,2H3;/q2*-1;+2
InChIKeyIMYXXVNFACRBNG-UHFFFAOYSA-N
MW148.53 g/mol
LogP2.62
Rot. Bonds2

About magnesium;butane;pent-1-yne

magnesium;butane;pent-1-yne (PubChem CID 78060788) has the molecular formula C9H16Mg and a molecular weight of 148.53 g/mol. Its IUPAC name is magnesium;butane;pent-1-yne.

Molecular Properties

Compound Namemagnesium;butane;pent-1-yne
PubChem CID78060788
Molecular FormulaC9H16Mg
Molecular Weight148.53 g/mol
Exact Mass148.11
IUPAC Namemagnesium;butane;pent-1-yne
SMILES[C-]#CCCC.[CH2-]CCC.[Mg+2]
InChIInChI=1S/C5H7.C4H9.Mg/c1-3-5-4-2;1-3-4-2;/h3,5H2,1H3;1,3-4H2,2H3;/q2*-1;+2
InChIKeyIMYXXVNFACRBNG-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.53
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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;butane;pent-1-yne?
The IUPAC name of magnesium;butane;pent-1-yne (CID 78060788) is magnesium;butane;pent-1-yne.
What is the SMILES notation for magnesium;butane;pent-1-yne?
The canonical SMILES for magnesium;butane;pent-1-yne is [C-]#CCCC.[CH2-]CCC.[Mg+2].
What is the InChIKey of magnesium;butane;pent-1-yne?
The InChIKey is IMYXXVNFACRBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7.C4H9.Mg/c1-3-5-4-2;1-3-4-2;/h3,5H2,1H3;1,3-4H2,2H3;/q2*-1;+2.
What are the key properties of magnesium;butane;pent-1-yne?
magnesium;butane;pent-1-yne has a molecular weight of 148.53 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butane;pent-1-yne is sourced from PubChem (CID 78060788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).