magnesium;hexan-1-ol;dichloride

C6H14Cl2MgO — CID 174624266

IUPACmagnesium;hexan-1-ol;dichloride
SMILESCCCCCCO.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H14O.2ClH.Mg/c1-2-3-4-5-6-7;;;/h7H,2-6H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyLNCJVOCHQAQWRE-UHFFFAOYSA-L
MW197.39 g/mol
LogP-4.81
Rot. Bonds4

About magnesium;hexan-1-ol;dichloride

magnesium;hexan-1-ol;dichloride (PubChem CID 174624266) has the molecular formula C6H14Cl2MgO and a molecular weight of 197.39 g/mol. Its IUPAC name is magnesium;hexan-1-ol;dichloride.

Molecular Properties

Compound Namemagnesium;hexan-1-ol;dichloride
PubChem CID174624266
Molecular FormulaC6H14Cl2MgO
Molecular Weight197.39 g/mol
Exact Mass196.03
IUPAC Namemagnesium;hexan-1-ol;dichloride
SMILESCCCCCCO.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H14O.2ClH.Mg/c1-2-3-4-5-6-7;;;/h7H,2-6H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyLNCJVOCHQAQWRE-UHFFFAOYSA-L
XLogP-4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.39
LogP ≤ 5-4.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze magnesium;hexan-1-ol;dichloride with MolForge

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

Launch Full Analysis

Related Compounds

magnesium;hexan-1-ol;hydride
CID 173424327
magnesium;hexan-1-ol;iodide
CID 173010286
magnesium;heptan-1-ol;hydride
CID 174154950
pentan-1-ol;yttrium
CID 154312100
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
undecan-1-ol
CID 122455065

Frequently Asked Questions

What is the IUPAC name of magnesium;hexan-1-ol;dichloride?
The IUPAC name of magnesium;hexan-1-ol;dichloride (CID 174624266) is magnesium;hexan-1-ol;dichloride.
What is the SMILES notation for magnesium;hexan-1-ol;dichloride?
The canonical SMILES for magnesium;hexan-1-ol;dichloride is CCCCCCO.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;hexan-1-ol;dichloride?
The InChIKey is LNCJVOCHQAQWRE-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14O.2ClH.Mg/c1-2-3-4-5-6-7;;;/h7H,2-6H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;hexan-1-ol;dichloride?
magnesium;hexan-1-ol;dichloride has a molecular weight of 197.39 g/mol, XLogP of -4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hexan-1-ol;dichloride is sourced from PubChem (CID 174624266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).