heptamagnesium;ethanolate;dichloride

C24H60Cl2Mg7O12 — CID 173366879

IUPACheptamagnesium;ethanolate;dichloride
SMILESCC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Cl-].[Cl-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/12C2H5O.2ClH.7Mg/c12*1-2-3;;;;;;;;;/h12*2H2,1H3;2*1H;;;;;;;/q12*-1;;;7*+2/p-2
InChIKeyCXIQBIIDMBZRRT-UHFFFAOYSA-L
MW781.77 g/mol
LogP-16.26
Rot. Bonds

About heptamagnesium;ethanolate;dichloride

heptamagnesium;ethanolate;dichloride (PubChem CID 173366879) has the molecular formula C24H60Cl2Mg7O12 and a molecular weight of 781.77 g/mol. Its IUPAC name is heptamagnesium;ethanolate;dichloride.

Molecular Properties

Compound Nameheptamagnesium;ethanolate;dichloride
PubChem CID173366879
Molecular FormulaC24H60Cl2Mg7O12
Molecular Weight781.77 g/mol
Exact Mass778.24
IUPAC Nameheptamagnesium;ethanolate;dichloride
SMILESCC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Cl-].[Cl-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/12C2H5O.2ClH.7Mg/c12*1-2-3;;;;;;;;;/h12*2H2,1H3;2*1H;;;;;;;/q12*-1;;;7*+2/p-2
InChIKeyCXIQBIIDMBZRRT-UHFFFAOYSA-L
XLogP-16.26
TPSA276.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.77
LogP ≤ 5-16.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

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calcium;ethanolate;chloride;hexahydrate
CID 141411480
ethanolate;vanadium(4+);chloride;hydroxide
CID 102059905
potassium ethanolate
CID 23670592
ethanolate;vanadium(2+)
CID 160956004
erbium(3+);ethanolate
CID 14029842
ethanolate;niobium
CID 18534493
CID 159434150
CID 159434150
magnesium;ethanolate;tetramethylsilane
CID 174810275
magnesium;2,2-dimethylpropane;ethanolate
CID 174810473

Frequently Asked Questions

What is the IUPAC name of heptamagnesium;ethanolate;dichloride?
The IUPAC name of heptamagnesium;ethanolate;dichloride (CID 173366879) is heptamagnesium;ethanolate;dichloride.
What is the SMILES notation for heptamagnesium;ethanolate;dichloride?
The canonical SMILES for heptamagnesium;ethanolate;dichloride is CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Cl-].[Cl-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of heptamagnesium;ethanolate;dichloride?
The InChIKey is CXIQBIIDMBZRRT-UHFFFAOYSA-L. The full InChI is InChI=1S/12C2H5O.2ClH.7Mg/c12*1-2-3;;;;;;;;;/h12*2H2,1H3;2*1H;;;;;;;/q12*-1;;;7*+2/p-2.
What are the key properties of heptamagnesium;ethanolate;dichloride?
heptamagnesium;ethanolate;dichloride has a molecular weight of 781.77 g/mol, XLogP of -16.26, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for heptamagnesium;ethanolate;dichloride is sourced from PubChem (CID 173366879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).