magnesium;1-methoxybutane;dichloride

C5H12Cl2MgO — CID 174503784

IUPACmagnesium;1-methoxybutane;dichloride
SMILESCCCCOC.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C5H12O.2ClH.Mg/c1-3-4-5-6-2;;;/h3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyLGISNOCJEIRIJP-UHFFFAOYSA-L
MW183.36 g/mol
LogP-4.94
Rot. Bonds3

About magnesium;1-methoxybutane;dichloride

magnesium;1-methoxybutane;dichloride (PubChem CID 174503784) has the molecular formula C5H12Cl2MgO and a molecular weight of 183.36 g/mol. Its IUPAC name is magnesium;1-methoxybutane;dichloride.

Molecular Properties

Compound Namemagnesium;1-methoxybutane;dichloride
PubChem CID174503784
Molecular FormulaC5H12Cl2MgO
Molecular Weight183.36 g/mol
Exact Mass182.01
IUPAC Namemagnesium;1-methoxybutane;dichloride
SMILESCCCCOC.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C5H12O.2ClH.Mg/c1-3-4-5-6-2;;;/h3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyLGISNOCJEIRIJP-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 ≤ 500183.36
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'}

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Related Compounds

Magnesium, chloro(4-methoxybutyl)-
CID 11679839
Magnesium chloride 3-methoxypropan-1-ide (1/1/1)
CID 13313844
Dimagnesium;butan-1-olate;dichloride
CID 135042414
Magnesium;butan-1-olate;chloride
CID 104483
Butoxychloromagnesium
CID 6101689
(1-Methoxypropyl)magnesium chloride
CID 139245172
Butan-1-olate;trichlorotitanium(1+)
CID 14420830
Magnesium chloride 4-methoxybutan-1-ide (1/1/1)
CID 15976975
Butoxy-dichloro-methylstannane
CID 20325212
Butoxy(trichloro)germane
CID 22476958
Butoxy(trichloro)stannane
CID 22476970
C4H9ClMgO
CID 73180478

Frequently Asked Questions

What is the IUPAC name of magnesium;1-methoxybutane;dichloride?
The IUPAC name of magnesium;1-methoxybutane;dichloride (CID 174503784) is magnesium;1-methoxybutane;dichloride.
What is the SMILES notation for magnesium;1-methoxybutane;dichloride?
The canonical SMILES for magnesium;1-methoxybutane;dichloride is CCCCOC.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-methoxybutane;dichloride?
The InChIKey is LGISNOCJEIRIJP-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12O.2ClH.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;dichloride?
magnesium;1-methoxybutane;dichloride has a molecular weight of 183.36 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;dichloride is sourced from PubChem (CID 174503784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).