magnesium;2-methanidyl-1-methoxypropane;chloride

C5H11ClMgO — CID 135035708

IUPACmagnesium;2-methanidyl-1-methoxypropane;chloride
SMILES[CH2-]C(C)COC.[Cl-].[Mg+2]
InChIInChI=1S/C5H11O.ClH.Mg/c1-5(2)4-6-3;;/h5H,1,4H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyUNJQNEIAMPCIAS-UHFFFAOYSA-M
MW146.90 g/mol
LogP-2.27
Rot. Bonds2

About magnesium;2-methanidyl-1-methoxypropane;chloride

magnesium;2-methanidyl-1-methoxypropane;chloride (PubChem CID 135035708) has the molecular formula C5H11ClMgO and a molecular weight of 146.90 g/mol. Its IUPAC name is magnesium;2-methanidyl-1-methoxypropane;chloride.

Molecular Properties

Compound Namemagnesium;2-methanidyl-1-methoxypropane;chloride
PubChem CID135035708
Molecular FormulaC5H11ClMgO
Molecular Weight146.90 g/mol
Exact Mass146.03
IUPAC Namemagnesium;2-methanidyl-1-methoxypropane;chloride
SMILES[CH2-]C(C)COC.[Cl-].[Mg+2]
InChIInChI=1S/C5H11O.ClH.Mg/c1-5(2)4-6-3;;/h5H,1,4H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyUNJQNEIAMPCIAS-UHFFFAOYSA-M
XLogP-2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.90
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-methanidyl-1-methoxypropane;chloride?
The IUPAC name of magnesium;2-methanidyl-1-methoxypropane;chloride (CID 135035708) is magnesium;2-methanidyl-1-methoxypropane;chloride.
What is the SMILES notation for magnesium;2-methanidyl-1-methoxypropane;chloride?
The canonical SMILES for magnesium;2-methanidyl-1-methoxypropane;chloride is [CH2-]C(C)COC.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-methanidyl-1-methoxypropane;chloride?
The InChIKey is UNJQNEIAMPCIAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11O.ClH.Mg/c1-5(2)4-6-3;;/h5H,1,4H2,2-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methanidyl-1-methoxypropane;chloride?
magnesium;2-methanidyl-1-methoxypropane;chloride has a molecular weight of 146.90 g/mol, XLogP of -2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methanidyl-1-methoxypropane;chloride is sourced from PubChem (CID 135035708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).