magnesium (Z)-2-dodecylbut-2-enedioate

C16H26MgO4 — CID 140979262

IUPACmagnesium (Z)-2-dodecylbut-2-enedioate
SMILESCCCCCCCCCCCC/C(=C/C(=O)[O-])C(=O)[O-].[Mg+2]
InChIInChI=1S/C16H28O4.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;/h13H,2-12H2,1H3,(H,17,18)(H,19,20);/q;+2/p-2/b14-13-;
InChIKeyHSWKYEPJHICUSM-HPWRNOGASA-L
MW306.68 g/mol
LogP1.34
Rot. Bonds13

About magnesium (Z)-2-dodecylbut-2-enedioate

magnesium (Z)-2-dodecylbut-2-enedioate (PubChem CID 140979262) has the molecular formula C16H26MgO4 and a molecular weight of 306.68 g/mol. Its IUPAC name is magnesium (Z)-2-dodecylbut-2-enedioate.

Molecular Properties

Compound Namemagnesium (Z)-2-dodecylbut-2-enedioate
PubChem CID140979262
Molecular FormulaC16H26MgO4
Molecular Weight306.68 g/mol
Exact Mass306.17
IUPAC Namemagnesium (Z)-2-dodecylbut-2-enedioate
SMILESCCCCCCCCCCCC/C(=C/C(=O)[O-])C(=O)[O-].[Mg+2]
InChIInChI=1S/C16H28O4.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;/h13H,2-12H2,1H3,(H,17,18)(H,19,20);/q;+2/p-2/b14-13-;
InChIKeyHSWKYEPJHICUSM-HPWRNOGASA-L
XLogP1.34
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

dimagnesium bis((Z)-2-nonylbut-2-enedioate)
CID 158045623
dimagnesium bis((Z)-2-decylbut-2-enedioate)
CID 159372540
calcium (E)-2-octadecylbut-2-enedioate
CID 174675129
strontium (Z)-2-dodecylbut-2-enedioate
CID 140979264
disodium;(Z)-2-octadecylbut-2-enedioate
CID 87072722
dicalcium bis((Z)-2-octadecylbut-2-enedioate)
CID 158633058
(E)-2-butylbut-2-enedioate
CID 135080629
dibutyltin(2+);(Z)-2-octylbut-2-enedioate
CID 159527383
bis(dibutyltin(2+));bis((Z)-2-dodecylbut-2-enedioate)
CID 21466665
dimagnesium bis((Z)-2-(17-butoxyheptadecyl)but-2-enedioate)
CID 139786878
disodium;(E)-2-octadecanoylbut-2-enedioate
CID 87703910
potassium (Z)-3-chlorooct-2-enoate
CID 101279412

Frequently Asked Questions

What is the IUPAC name of magnesium (Z)-2-dodecylbut-2-enedioate?
The IUPAC name of magnesium (Z)-2-dodecylbut-2-enedioate (CID 140979262) is magnesium (Z)-2-dodecylbut-2-enedioate.
What is the SMILES notation for magnesium (Z)-2-dodecylbut-2-enedioate?
The canonical SMILES for magnesium (Z)-2-dodecylbut-2-enedioate is CCCCCCCCCCCC/C(=C/C(=O)[O-])C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium (Z)-2-dodecylbut-2-enedioate?
The InChIKey is HSWKYEPJHICUSM-HPWRNOGASA-L. The full InChI is InChI=1S/C16H28O4.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;/h13H,2-12H2,1H3,(H,17,18)(H,19,20);/q;+2/p-2/b14-13-;.
What are the key properties of magnesium (Z)-2-dodecylbut-2-enedioate?
magnesium (Z)-2-dodecylbut-2-enedioate has a molecular weight of 306.68 g/mol, XLogP of 1.34, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium (Z)-2-dodecylbut-2-enedioate is sourced from PubChem (CID 140979262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).