magnesium;2-methylheptan-3-olate;chloride

C8H17ClMgO — CID 101233001

IUPACmagnesium;2-methylheptan-3-olate;chloride
SMILESCCCCC([O-])C(C)C.[Cl-].[Mg+2]
InChIInChI=1S/C8H17O.ClH.Mg/c1-4-5-6-8(9)7(2)3;;/h7-8H,4-6H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyNHQDHHYGDWVBTK-UHFFFAOYSA-M
MW188.98 g/mol
LogP-1.82
Rot. Bonds4

About magnesium;2-methylheptan-3-olate;chloride

magnesium;2-methylheptan-3-olate;chloride (PubChem CID 101233001) has the molecular formula C8H17ClMgO and a molecular weight of 188.98 g/mol. Its IUPAC name is magnesium;2-methylheptan-3-olate;chloride.

Molecular Properties

Compound Namemagnesium;2-methylheptan-3-olate;chloride
PubChem CID101233001
Molecular FormulaC8H17ClMgO
Molecular Weight188.98 g/mol
Exact Mass188.08
IUPAC Namemagnesium;2-methylheptan-3-olate;chloride
SMILESCCCCC([O-])C(C)C.[Cl-].[Mg+2]
InChIInChI=1S/C8H17O.ClH.Mg/c1-4-5-6-8(9)7(2)3;;/h7-8H,4-6H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyNHQDHHYGDWVBTK-UHFFFAOYSA-M
XLogP-1.82
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.98
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

lithium hexan-2-olate
CID 141423009
tetrakis(nonan-5-olate);tin(4+)
CID 160574109
aluminum;hexane;tris(propan-2-olate)
CID 173368889
tributyl(methyl)phosphanium
CID 2760115
(3R)-2,3-dimethylheptane;ethane
CID 163241846
bis(butan-1-olate);bis(propan-2-olate);titanium(4+)
CID 90474924
tetrakis(butan-1-olate);tetrakis(propan-2-olate);bis(zirconium(4+))
CID 159358567
alumane;2,3-dimethylheptane
CID 174508099
potassium heptan-3-olate
CID 140992163
2,3-dimethylheptane;ethane
CID 156648444
dibutyl-ethyl-methylphosphanium
CID 58444360
2-methylhexane;propane
CID 143695748

Frequently Asked Questions

What is the IUPAC name of magnesium;2-methylheptan-3-olate;chloride?
The IUPAC name of magnesium;2-methylheptan-3-olate;chloride (CID 101233001) is magnesium;2-methylheptan-3-olate;chloride.
What is the SMILES notation for magnesium;2-methylheptan-3-olate;chloride?
The canonical SMILES for magnesium;2-methylheptan-3-olate;chloride is CCCCC([O-])C(C)C.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-methylheptan-3-olate;chloride?
The InChIKey is NHQDHHYGDWVBTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17O.ClH.Mg/c1-4-5-6-8(9)7(2)3;;/h7-8H,4-6H2,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methylheptan-3-olate;chloride?
magnesium;2-methylheptan-3-olate;chloride has a molecular weight of 188.98 g/mol, XLogP of -1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methylheptan-3-olate;chloride is sourced from PubChem (CID 101233001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).