dimagnesium;butane;bis(hexane);propane

C19H42Mg2 — CID 173413004

IUPACdimagnesium;butane;bis(hexane);propane
SMILESC[CH-]C.[CH2-]CCC.[CH2-]CCCCC.[CH2-]CCCCC.[Mg+2].[Mg+2]
InChIInChI=1S/2C6H13.C4H9.C3H7.2Mg/c2*1-3-5-6-4-2;1-3-4-2;1-3-2;;/h2*1,3-6H2,2H3;1,3-4H2,2H3;3H,1-2H3;;/q4*-1;2*+2
InChIKeyNQMPVXGQVPPSPH-UHFFFAOYSA-N
MW319.16 g/mol
LogP6.89
Rot. Bonds7

About dimagnesium;butane;bis(hexane);propane

dimagnesium;butane;bis(hexane);propane (PubChem CID 173413004) has the molecular formula C19H42Mg2 and a molecular weight of 319.16 g/mol. Its IUPAC name is dimagnesium;butane;bis(hexane);propane.

Molecular Properties

Compound Namedimagnesium;butane;bis(hexane);propane
PubChem CID173413004
Molecular FormulaC19H42Mg2
Molecular Weight319.16 g/mol
Exact Mass318.30
IUPAC Namedimagnesium;butane;bis(hexane);propane
SMILESC[CH-]C.[CH2-]CCC.[CH2-]CCCCC.[CH2-]CCCCC.[Mg+2].[Mg+2]
InChIInChI=1S/2C6H13.C4H9.C3H7.2Mg/c2*1-3-5-6-4-2;1-3-4-2;1-3-2;;/h2*1,3-6H2,2H3;1,3-4H2,2H3;3H,1-2H3;;/q4*-1;2*+2
InChIKeyNQMPVXGQVPPSPH-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.16
LogP ≤ 56.89
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

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magnesium;octadecane;bromide
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magnesium;pentadecane;chloride
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CID 140617216
dimagnesium;butane;heptane
CID 175022489
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Frequently Asked Questions

What is the IUPAC name of dimagnesium;butane;bis(hexane);propane?
The IUPAC name of dimagnesium;butane;bis(hexane);propane (CID 173413004) is dimagnesium;butane;bis(hexane);propane.
What is the SMILES notation for dimagnesium;butane;bis(hexane);propane?
The canonical SMILES for dimagnesium;butane;bis(hexane);propane is C[CH-]C.[CH2-]CCC.[CH2-]CCCCC.[CH2-]CCCCC.[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;butane;bis(hexane);propane?
The InChIKey is NQMPVXGQVPPSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13.C4H9.C3H7.2Mg/c2*1-3-5-6-4-2;1-3-4-2;1-3-2;;/h2*1,3-6H2,2H3;1,3-4H2,2H3;3H,1-2H3;;/q4*-1;2*+2.
What are the key properties of dimagnesium;butane;bis(hexane);propane?
dimagnesium;butane;bis(hexane);propane has a molecular weight of 319.16 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;butane;bis(hexane);propane is sourced from PubChem (CID 173413004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).