magnesium bis(2-ethylidenepentanoate)

C14H22MgO4 — CID 156698834

IUPACmagnesium bis(2-ethylidenepentanoate)
SMILESCC=C(CCC)C(=O)[O-].CC=C(CCC)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C7H12O2.Mg/c2*1-3-5-6(4-2)7(8)9;/h2*4H,3,5H2,1-2H3,(H,8,9);/q;;+2/p-2
InChIKeyAKIYSGAPWNHVCW-UHFFFAOYSA-L
MW278.63 g/mol
LogP0.58
Rot. Bonds6

About magnesium bis(2-ethylidenepentanoate)

magnesium bis(2-ethylidenepentanoate) (PubChem CID 156698834) has the molecular formula C14H22MgO4 and a molecular weight of 278.63 g/mol. Its IUPAC name is magnesium bis(2-ethylidenepentanoate).

Molecular Properties

Compound Namemagnesium bis(2-ethylidenepentanoate)
PubChem CID156698834
Molecular FormulaC14H22MgO4
Molecular Weight278.63 g/mol
Exact Mass278.14
IUPAC Namemagnesium bis(2-ethylidenepentanoate)
SMILESCC=C(CCC)C(=O)[O-].CC=C(CCC)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C7H12O2.Mg/c2*1-3-5-6(4-2)7(8)9;/h2*4H,3,5H2,1-2H3,(H,8,9);/q;;+2/p-2
InChIKeyAKIYSGAPWNHVCW-UHFFFAOYSA-L
XLogP0.58
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.63
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

sodium (Z)-2-propylpent-2-enoate
CID 23705024
azanium 2-ethylbut-2-enoate
CID 141087619
tetrapotassium;butanoate
CID 140982885
potassium butanoate
CID 23677461
magnesium butanoate
CID 6453218
dimagnesium bis((Z)-2-nonylbut-2-enedioate)
CID 158045623
magnesium (Z)-2-dodecylbut-2-enedioate
CID 140979262
dimagnesium;butanoate;propanoate
CID 19914218
dimagnesium bis((Z)-2-decylbut-2-enedioate)
CID 159372540
azane;methyl 2-ethylidenepentanoate
CID 175242663
silyl 2-ethylidenepentanoate
CID 174944485
(E)-2-butylbut-2-enedioate
CID 135080629

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-ethylidenepentanoate)?
The IUPAC name of magnesium bis(2-ethylidenepentanoate) (CID 156698834) is magnesium bis(2-ethylidenepentanoate).
What is the SMILES notation for magnesium bis(2-ethylidenepentanoate)?
The canonical SMILES for magnesium bis(2-ethylidenepentanoate) is CC=C(CCC)C(=O)[O-].CC=C(CCC)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-ethylidenepentanoate)?
The InChIKey is AKIYSGAPWNHVCW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H12O2.Mg/c2*1-3-5-6(4-2)7(8)9;/h2*4H,3,5H2,1-2H3,(H,8,9);/q;;+2/p-2.
What are the key properties of magnesium bis(2-ethylidenepentanoate)?
magnesium bis(2-ethylidenepentanoate) has a molecular weight of 278.63 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-ethylidenepentanoate) is sourced from PubChem (CID 156698834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).