magnesium;hexan-1-ol;iodide

C6H14IMgO+ — CID 173010286

IUPACmagnesium;hexan-1-ol;iodide
SMILESCCCCCCO.[I-].[Mg+2]
InChIInChI=1S/C6H14O.HI.Mg/c1-2-3-4-5-6-7;;/h7H,2-6H2,1H3;1H;/q;;+2/p-1
InChIKeyHAEMMAAJSVHFFI-UHFFFAOYSA-M
MW253.39 g/mol
LogP-1.82
Rot. Bonds4

About magnesium;hexan-1-ol;iodide

magnesium;hexan-1-ol;iodide (PubChem CID 173010286) has the molecular formula C6H14IMgO+ and a molecular weight of 253.39 g/mol. Its IUPAC name is magnesium;hexan-1-ol;iodide.

Molecular Properties

Compound Namemagnesium;hexan-1-ol;iodide
PubChem CID173010286
Molecular FormulaC6H14IMgO+
Molecular Weight253.39 g/mol
Exact Mass252.99
IUPAC Namemagnesium;hexan-1-ol;iodide
SMILESCCCCCCO.[I-].[Mg+2]
InChIInChI=1S/C6H14O.HI.Mg/c1-2-3-4-5-6-7;;/h7H,2-6H2,1H3;1H;/q;;+2/p-1
InChIKeyHAEMMAAJSVHFFI-UHFFFAOYSA-M
XLogP-1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 5-1.82
H-Bond Donors ≤ 51
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

magnesium;hexan-1-ol;dichloride
CID 174624266
magnesium;hexan-1-ol;hydride
CID 173424327
magnesium;heptan-1-ol;hydride
CID 174154950
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
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620

Frequently Asked Questions

What is the IUPAC name of magnesium;hexan-1-ol;iodide?
The IUPAC name of magnesium;hexan-1-ol;iodide (CID 173010286) is magnesium;hexan-1-ol;iodide.
What is the SMILES notation for magnesium;hexan-1-ol;iodide?
The canonical SMILES for magnesium;hexan-1-ol;iodide is CCCCCCO.[I-].[Mg+2].
What is the InChIKey of magnesium;hexan-1-ol;iodide?
The InChIKey is HAEMMAAJSVHFFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14O.HI.Mg/c1-2-3-4-5-6-7;;/h7H,2-6H2,1H3;1H;/q;;+2/p-1.
What are the key properties of magnesium;hexan-1-ol;iodide?
magnesium;hexan-1-ol;iodide has a molecular weight of 253.39 g/mol, XLogP of -1.82, 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;iodide is sourced from PubChem (CID 173010286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).