magnesium;ethanolate;propan-1-olate

C5H12MgO2 — CID 24942495

IUPACmagnesium;ethanolate;propan-1-olate
SMILESCCC[O-].CC[O-].[Mg+2]
InChIInChI=1S/C3H7O.C2H5O.Mg/c1-2-3-4;1-2-3;/h2-3H2,1H3;2H2,1H3;/q2*-1;+2
InChIKeyCCLBJCVPJCHEQD-UHFFFAOYSA-N
MW128.45 g/mol
LogP-1.26
Rot. Bonds1

About magnesium;ethanolate;propan-1-olate

magnesium;ethanolate;propan-1-olate (PubChem CID 24942495) has the molecular formula C5H12MgO2 and a molecular weight of 128.45 g/mol. Its IUPAC name is magnesium;ethanolate;propan-1-olate.

Molecular Properties

Compound Namemagnesium;ethanolate;propan-1-olate
PubChem CID24942495
Molecular FormulaC5H12MgO2
Molecular Weight128.45 g/mol
Exact Mass128.07
IUPAC Namemagnesium;ethanolate;propan-1-olate
SMILESCCC[O-].CC[O-].[Mg+2]
InChIInChI=1S/C3H7O.C2H5O.Mg/c1-2-3-4;1-2-3;/h2-3H2,1H3;2H2,1H3;/q2*-1;+2
InChIKeyCCLBJCVPJCHEQD-UHFFFAOYSA-N
XLogP-1.26
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.45
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Magnesium ethanolate
CID 164963
Propyl peroxide
CID 536115
Magnesium dipropan-2-olate
CID 10197750
Magnesium dipropanolate
CID 10197751
Diethoxymagnesium
CID 3693605
1-Propoxysulfanyloxypropane
CID 316388
Magnesium n-propoxide
CID 11228859
Propoxyether
CID 20367756
Magnesium bis(propan-2-olate)
CID 129817426
Magnesium ethoxide methoxide (1/1/1)
CID 18408038
Ethoxy(propan-2-olato)magnesium
CID 19433386
Ethoxypropoxymagnesium
CID 22239874

Frequently Asked Questions

What is the IUPAC name of magnesium;ethanolate;propan-1-olate?
The IUPAC name of magnesium;ethanolate;propan-1-olate (CID 24942495) is magnesium;ethanolate;propan-1-olate.
What is the SMILES notation for magnesium;ethanolate;propan-1-olate?
The canonical SMILES for magnesium;ethanolate;propan-1-olate is CCC[O-].CC[O-].[Mg+2].
What is the InChIKey of magnesium;ethanolate;propan-1-olate?
The InChIKey is CCLBJCVPJCHEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.C2H5O.Mg/c1-2-3-4;1-2-3;/h2-3H2,1H3;2H2,1H3;/q2*-1;+2.
What are the key properties of magnesium;ethanolate;propan-1-olate?
magnesium;ethanolate;propan-1-olate has a molecular weight of 128.45 g/mol, XLogP of -1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethanolate;propan-1-olate is sourced from PubChem (CID 24942495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).