dimagnesium;butane;heptane

C23H52Mg2 — CID 175022489

IUPACdimagnesium;butane;heptane
SMILESCCCCCCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Mg+2].[Mg+2]
InChIInChI=1S/C7H16.4C4H9.2Mg/c1-3-5-7-6-4-2;4*1-3-4-2;;/h3-7H2,1-2H3;4*1,3-4H2,2H3;;/q;4*-1;2*+2
InChIKeyRVUFEWSTZABZBI-UHFFFAOYSA-N
MW377.28 g/mol
LogP8.70
Rot. Bonds8

About dimagnesium;butane;heptane

dimagnesium;butane;heptane (PubChem CID 175022489) has the molecular formula C23H52Mg2 and a molecular weight of 377.28 g/mol. Its IUPAC name is dimagnesium;butane;heptane.

Molecular Properties

Compound Namedimagnesium;butane;heptane
PubChem CID175022489
Molecular FormulaC23H52Mg2
Molecular Weight377.28 g/mol
Exact Mass376.38
IUPAC Namedimagnesium;butane;heptane
SMILESCCCCCCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Mg+2].[Mg+2]
InChIInChI=1S/C7H16.4C4H9.2Mg/c1-3-5-7-6-4-2;4*1-3-4-2;;/h3-7H2,1-2H3;4*1,3-4H2,2H3;;/q;4*-1;2*+2
InChIKeyRVUFEWSTZABZBI-UHFFFAOYSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.28
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

magnesium;butane;octane;hydrochloride
CID 87898861
CID 158218967
CID 158218967
magnesium;octadecane;bromide
CID 12546206
magnesium;octane;propane
CID 140617216
magnesium;pentadecane;chloride
CID 88592756
heptadecane
CID 156905849
dimagnesium;butane;bis(hexane);propane
CID 173413004
magnesium;octane;propane
CID 140617215
tetrakis(dodecane);zirconium(4+)
CID 173426195
tris(heptane);vanadium
CID 59340167
cerium;dodecane
CID 154114371
zinc heptane
CID 4204916

Frequently Asked Questions

What is the IUPAC name of dimagnesium;butane;heptane?
The IUPAC name of dimagnesium;butane;heptane (CID 175022489) is dimagnesium;butane;heptane.
What is the SMILES notation for dimagnesium;butane;heptane?
The canonical SMILES for dimagnesium;butane;heptane is CCCCCCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;butane;heptane?
The InChIKey is RVUFEWSTZABZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.4C4H9.2Mg/c1-3-5-7-6-4-2;4*1-3-4-2;;/h3-7H2,1-2H3;4*1,3-4H2,2H3;;/q;4*-1;2*+2.
What are the key properties of dimagnesium;butane;heptane?
dimagnesium;butane;heptane has a molecular weight of 377.28 g/mol, XLogP of 8.70, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;butane;heptane is sourced from PubChem (CID 175022489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).