magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide

C12H25IMgO2 — CID 172535159

IUPACmagnesium;4-methyl-1-(propoxymethoxy)heptane;iodide
SMILESC[CH-]CC(C)CCCOCOCCC.[I-].[Mg+2]
InChIInChI=1S/C12H25O2.HI.Mg/c1-4-7-12(3)8-6-10-14-11-13-9-5-2;;/h4,12H,5-11H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyHSTRLWQRRUQQRD-UHFFFAOYSA-M
MW352.54 g/mol
LogP0.04
Rot. Bonds10

About magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide

magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide (PubChem CID 172535159) has the molecular formula C12H25IMgO2 and a molecular weight of 352.54 g/mol. Its IUPAC name is magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide.

Molecular Properties

Compound Namemagnesium;4-methyl-1-(propoxymethoxy)heptane;iodide
PubChem CID172535159
Molecular FormulaC12H25IMgO2
Molecular Weight352.54 g/mol
Exact Mass352.07
IUPAC Namemagnesium;4-methyl-1-(propoxymethoxy)heptane;iodide
SMILESC[CH-]CC(C)CCCOCOCCC.[I-].[Mg+2]
InChIInChI=1S/C12H25O2.HI.Mg/c1-4-7-12(3)8-6-10-14-11-13-9-5-2;;/h4,12H,5-11H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyHSTRLWQRRUQQRD-UHFFFAOYSA-M
XLogP0.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide
CID 172535093
magnesium;1-(heptoxymethoxy)-4-methylheptane;iodide
CID 172535246
8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane
CID 172545057
1-(4-methylheptoxymethoxy)octane
CID 172535111
2-methyl-5-propoxypentan-1-ol
CID 165024273
1,3-bis(propoxymethoxy)propane;methane
CID 164971527
lithium 1-(propoxymethoxy)pentane
CID 172535115
1-(butoxymethoxy)-6-chloro-4-methylheptane
CID 172535194
1-(decoxymethoxy)-14-iodo-4,6,8,10,12-pentamethylpentadecane
CID 172545369
1-(4-iodopentoxymethoxy)decane
CID 172535184
1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane
CID 172545343
1-[(6-chloro-4-methylheptoxy)methoxy]nonane
CID 172535231

Frequently Asked Questions

What is the IUPAC name of magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide?
The IUPAC name of magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide (CID 172535159) is magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide.
What is the SMILES notation for magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide?
The canonical SMILES for magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide is C[CH-]CC(C)CCCOCOCCC.[I-].[Mg+2].
What is the InChIKey of magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide?
The InChIKey is HSTRLWQRRUQQRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H25O2.HI.Mg/c1-4-7-12(3)8-6-10-14-11-13-9-5-2;;/h4,12H,5-11H2,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide?
magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide has a molecular weight of 352.54 g/mol, XLogP of 0.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide is sourced from PubChem (CID 172535159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).