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

C14H29IMgO2 — CID 172535093

IUPACmagnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide
SMILESC[CH-]CC(C)CCCOCOCCCCC.[I-].[Mg+2]
InChIInChI=1S/C14H29O2.HI.Mg/c1-4-6-7-11-15-13-16-12-8-10-14(3)9-5-2;;/h5,14H,4,6-13H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyYKAQJQJHTPYFDE-UHFFFAOYSA-M
MW380.59 g/mol
LogP0.82
Rot. Bonds12

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

magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide (PubChem CID 172535093) has the molecular formula C14H29IMgO2 and a molecular weight of 380.59 g/mol. Its IUPAC name is magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide.

Molecular Properties

Compound Namemagnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide
PubChem CID172535093
Molecular FormulaC14H29IMgO2
Molecular Weight380.59 g/mol
Exact Mass380.11
IUPAC Namemagnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide
SMILESC[CH-]CC(C)CCCOCOCCCCC.[I-].[Mg+2]
InChIInChI=1S/C14H29O2.HI.Mg/c1-4-6-7-11-15-13-16-12-8-10-14(3)9-5-2;;/h5,14H,4,6-13H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyYKAQJQJHTPYFDE-UHFFFAOYSA-M
XLogP0.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.59
LogP ≤ 50.82
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;1-(heptoxymethoxy)-4-methylheptane;iodide
CID 172535246
magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide
CID 172535159
1-(4-methylheptoxymethoxy)octane
CID 172535111
1-(4-iodopentoxymethoxy)decane
CID 172535184
1-(decoxymethoxy)-14-iodo-4,6,8,10,12-pentamethylpentadecane
CID 172545369
1-[(6-chloro-4-methylheptoxy)methoxy]nonane
CID 172535231
4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol
CID 172545297
1-bromo-4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecane
CID 172545087
4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol
CID 172545168
4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol
CID 172545315
1-(butoxymethoxy)-6-chloro-4-methylheptane
CID 172535194
1-(2-methylpropoxy)tridecane
CID 91526471

Frequently Asked Questions

What is the IUPAC name of magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide?
The IUPAC name of magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide (CID 172535093) is magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide.
What is the SMILES notation for magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide?
The canonical SMILES for magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide is C[CH-]CC(C)CCCOCOCCCCC.[I-].[Mg+2].
What is the InChIKey of magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide?
The InChIKey is YKAQJQJHTPYFDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H29O2.HI.Mg/c1-4-6-7-11-15-13-16-12-8-10-14(3)9-5-2;;/h5,14H,4,6-13H2,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide?
magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide has a molecular weight of 380.59 g/mol, XLogP of 0.82, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide is sourced from PubChem (CID 172535093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).