dimagnesium bis((Z)-2-decylbut-2-enedioate)

C28H44Mg2O8 — CID 159372540

IUPACdimagnesium bis((Z)-2-decylbut-2-enedioate)
SMILESCCCCCCCCCC/C(=C/C(=O)[O-])C(=O)[O-].CCCCCCCCCC/C(=C/C(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/2C14H24O4.2Mg/c2*1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16;;/h2*11H,2-10H2,1H3,(H,15,16)(H,17,18);;/q;;2*+2/p-4/b2*12-11-;;
InChIKeyFYDFXVFVGVOPHM-RQRIPBLYSA-J
MW557.26 g/mol
LogP1.13
Rot. Bonds22

About dimagnesium bis((Z)-2-decylbut-2-enedioate)

dimagnesium bis((Z)-2-decylbut-2-enedioate) (PubChem CID 159372540) has the molecular formula C28H44Mg2O8 and a molecular weight of 557.26 g/mol. Its IUPAC name is dimagnesium bis((Z)-2-decylbut-2-enedioate).

Molecular Properties

Compound Namedimagnesium bis((Z)-2-decylbut-2-enedioate)
PubChem CID159372540
Molecular FormulaC28H44Mg2O8
Molecular Weight557.26 g/mol
Exact Mass556.27
IUPAC Namedimagnesium bis((Z)-2-decylbut-2-enedioate)
SMILESCCCCCCCCCC/C(=C/C(=O)[O-])C(=O)[O-].CCCCCCCCCC/C(=C/C(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/2C14H24O4.2Mg/c2*1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16;;/h2*11H,2-10H2,1H3,(H,15,16)(H,17,18);;/q;;2*+2/p-4/b2*12-11-;;
InChIKeyFYDFXVFVGVOPHM-RQRIPBLYSA-J
XLogP1.13
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.26
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimagnesium bis((Z)-2-decylbut-2-enedioate)?
The IUPAC name of dimagnesium bis((Z)-2-decylbut-2-enedioate) (CID 159372540) is dimagnesium bis((Z)-2-decylbut-2-enedioate).
What is the SMILES notation for dimagnesium bis((Z)-2-decylbut-2-enedioate)?
The canonical SMILES for dimagnesium bis((Z)-2-decylbut-2-enedioate) is CCCCCCCCCC/C(=C/C(=O)[O-])C(=O)[O-].CCCCCCCCCC/C(=C/C(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium bis((Z)-2-decylbut-2-enedioate)?
The InChIKey is FYDFXVFVGVOPHM-RQRIPBLYSA-J. The full InChI is InChI=1S/2C14H24O4.2Mg/c2*1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16;;/h2*11H,2-10H2,1H3,(H,15,16)(H,17,18);;/q;;2*+2/p-4/b2*12-11-;;.
What are the key properties of dimagnesium bis((Z)-2-decylbut-2-enedioate)?
dimagnesium bis((Z)-2-decylbut-2-enedioate) has a molecular weight of 557.26 g/mol, XLogP of 1.13, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium bis((Z)-2-decylbut-2-enedioate) is sourced from PubChem (CID 159372540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).