magnesium;1-ethoxypropan-2-one;hydride

C5H12MgO2 — CID 173062640

IUPACmagnesium;1-ethoxypropan-2-one;hydride
SMILESCCOCC(C)=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H10O2.Mg.2H/c1-3-7-4-5(2)6;;;/h3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyPSKFHYFEUWQPSH-UHFFFAOYSA-N
MW128.45 g/mol
LogP0.46
Rot. Bonds3

About magnesium;1-ethoxypropan-2-one;hydride

magnesium;1-ethoxypropan-2-one;hydride (PubChem CID 173062640) has the molecular formula C5H12MgO2 and a molecular weight of 128.45 g/mol. Its IUPAC name is magnesium;1-ethoxypropan-2-one;hydride.

Molecular Properties

Compound Namemagnesium;1-ethoxypropan-2-one;hydride
PubChem CID173062640
Molecular FormulaC5H12MgO2
Molecular Weight128.45 g/mol
Exact Mass128.07
IUPAC Namemagnesium;1-ethoxypropan-2-one;hydride
SMILESCCOCC(C)=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C5H10O2.Mg.2H/c1-3-7-4-5(2)6;;;/h3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyPSKFHYFEUWQPSH-UHFFFAOYSA-N
XLogP0.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.45
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxypropan-2-one;methyl propanoate
CID 158504783
N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one
CID 175053297
2-ethoxyacetic acid
CID 159744705
carbonic acid;2-ethoxyacetic acid
CID 174869478
methoxyethane;1-methoxypropan-2-one
CID 159894285
acetyl 2-ethoxyacetate
CID 57009984
1,5-diethoxy-3,3-bis(2-ethoxyacetyl)pentane-2,4-dione
CID 20715511
cadmium(2+);bis(2-ethoxyacetate)
CID 87930337
1-pent-2-ynoxypropan-2-one
CID 164846467
1-hexadecoxypropan-2-one
CID 15701879
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
dichloromethane;2-ethoxyacetic acid
CID 87359195

Frequently Asked Questions

What is the IUPAC name of magnesium;1-ethoxypropan-2-one;hydride?
The IUPAC name of magnesium;1-ethoxypropan-2-one;hydride (CID 173062640) is magnesium;1-ethoxypropan-2-one;hydride.
What is the SMILES notation for magnesium;1-ethoxypropan-2-one;hydride?
The canonical SMILES for magnesium;1-ethoxypropan-2-one;hydride is CCOCC(C)=O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1-ethoxypropan-2-one;hydride?
The InChIKey is PSKFHYFEUWQPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Mg.2H/c1-3-7-4-5(2)6;;;/h3-4H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;1-ethoxypropan-2-one;hydride?
magnesium;1-ethoxypropan-2-one;hydride has a molecular weight of 128.45 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-ethoxypropan-2-one;hydride is sourced from PubChem (CID 173062640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).