magnesium;1-methoxybutane;chloride

C5H11ClMgO — CID 15976975

IUPACmagnesium;1-methoxybutane;chloride
SMILES[CH2-]CCCOC.[Cl-].[Mg+2]
InChIInChI=1S/C5H11O.ClH.Mg/c1-3-4-5-6-2;;/h1,3-5H2,2H3;1H;/q-1;;+2/p-1
InChIKeyKERSTKMRGUUNIJ-UHFFFAOYSA-M
MW146.90 g/mol
LogP-2.13
Rot. Bonds3

About magnesium;1-methoxybutane;chloride

magnesium;1-methoxybutane;chloride (PubChem CID 15976975) has the molecular formula C5H11ClMgO and a molecular weight of 146.90 g/mol. Its IUPAC name is magnesium;1-methoxybutane;chloride.

Molecular Properties

Compound Namemagnesium;1-methoxybutane;chloride
PubChem CID15976975
Molecular FormulaC5H11ClMgO
Molecular Weight146.90 g/mol
Exact Mass146.03
IUPAC Namemagnesium;1-methoxybutane;chloride
SMILES[CH2-]CCCOC.[Cl-].[Mg+2]
InChIInChI=1S/C5H11O.ClH.Mg/c1-3-4-5-6-2;;/h1,3-5H2,2H3;1H;/q-1;;+2/p-1
InChIKeyKERSTKMRGUUNIJ-UHFFFAOYSA-M
XLogP-2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.90
LogP ≤ 5-2.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze magnesium;1-methoxybutane;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;1-methoxybutane;chloride?
The IUPAC name of magnesium;1-methoxybutane;chloride (CID 15976975) is magnesium;1-methoxybutane;chloride.
What is the SMILES notation for magnesium;1-methoxybutane;chloride?
The canonical SMILES for magnesium;1-methoxybutane;chloride is [CH2-]CCCOC.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-methoxybutane;chloride?
The InChIKey is KERSTKMRGUUNIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11O.ClH.Mg/c1-3-4-5-6-2;;/h1,3-5H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methoxybutane;chloride?
magnesium;1-methoxybutane;chloride has a molecular weight of 146.90 g/mol, XLogP of -2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methoxybutane;chloride is sourced from PubChem (CID 15976975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).