magnesium;1-methoxybutane;diiodide

C5H12I2MgO — CID 175076057

IUPACmagnesium;1-methoxybutane;diiodide
SMILESCCCCOC.[I-].[I-].[Mg+2]
InChIInChI=1S/C5H12O.2HI.Mg/c1-3-4-5-6-2;;;/h3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyLUONUZVDWPLTMP-UHFFFAOYSA-L
MW366.26 g/mol
LogP-4.94
Rot. Bonds3

About magnesium;1-methoxybutane;diiodide

magnesium;1-methoxybutane;diiodide (PubChem CID 175076057) has the molecular formula C5H12I2MgO and a molecular weight of 366.26 g/mol. Its IUPAC name is magnesium;1-methoxybutane;diiodide.

Molecular Properties

Compound Namemagnesium;1-methoxybutane;diiodide
PubChem CID175076057
Molecular FormulaC5H12I2MgO
Molecular Weight366.26 g/mol
Exact Mass365.88
IUPAC Namemagnesium;1-methoxybutane;diiodide
SMILESCCCCOC.[I-].[I-].[Mg+2]
InChIInChI=1S/C5H12O.2HI.Mg/c1-3-4-5-6-2;;;/h3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyLUONUZVDWPLTMP-UHFFFAOYSA-L
XLogP-4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 5-4.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxybutane;N-methylmethanamine
CID 144512984
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-butoxy-4-methoxybutane
CID 13082830
1-methoxyhexacosane
CID 20780514
azane;1-methoxydodecane
CID 174553670
ethane-1,2-diol;ethoxyethane;1-methoxybutane
CID 87456565
butyl 3-methoxypropyl carbonate
CID 87247582
1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane
CID 160976114
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506
(Z)-1-methoxynon-4-ene
CID 59123720
bis(ethane-1,2-diol);1-methoxyheptane
CID 91824258

Frequently Asked Questions

What is the IUPAC name of magnesium;1-methoxybutane;diiodide?
The IUPAC name of magnesium;1-methoxybutane;diiodide (CID 175076057) is magnesium;1-methoxybutane;diiodide.
What is the SMILES notation for magnesium;1-methoxybutane;diiodide?
The canonical SMILES for magnesium;1-methoxybutane;diiodide is CCCCOC.[I-].[I-].[Mg+2].
What is the InChIKey of magnesium;1-methoxybutane;diiodide?
The InChIKey is LUONUZVDWPLTMP-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12O.2HI.Mg/c1-3-4-5-6-2;;;/h3-5H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;1-methoxybutane;diiodide?
magnesium;1-methoxybutane;diiodide has a molecular weight of 366.26 g/mol, XLogP of -4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methoxybutane;diiodide is sourced from PubChem (CID 175076057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).