magnesium;bis(prop-2-enyl) propanedioate;hydride

C9H14MgO4 — CID 173327866

IUPACmagnesium;bis(prop-2-enyl) propanedioate;hydride
SMILESC=CCOC(=O)CC(=O)OCC=C.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H12O4.Mg.2H/c1-3-5-12-8(10)7-9(11)13-6-4-2;;;/h3-4H,1-2,5-7H2;;;/q;+2;2*-1
InChIKeyOOHAYWUWEXGVLK-UHFFFAOYSA-N
MW210.51 g/mol
LogP0.68
Rot. Bonds6

About magnesium;bis(prop-2-enyl) propanedioate;hydride

magnesium;bis(prop-2-enyl) propanedioate;hydride (PubChem CID 173327866) has the molecular formula C9H14MgO4 and a molecular weight of 210.51 g/mol. Its IUPAC name is magnesium;bis(prop-2-enyl) propanedioate;hydride.

Molecular Properties

Compound Namemagnesium;bis(prop-2-enyl) propanedioate;hydride
PubChem CID173327866
Molecular FormulaC9H14MgO4
Molecular Weight210.51 g/mol
Exact Mass210.07
IUPAC Namemagnesium;bis(prop-2-enyl) propanedioate;hydride
SMILESC=CCOC(=O)CC(=O)OCC=C.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H12O4.Mg.2H/c1-3-5-12-8(10)7-9(11)13-6-4-2;;;/h3-4H,1-2,5-7H2;;;/q;+2;2*-1
InChIKeyOOHAYWUWEXGVLK-UHFFFAOYSA-N
XLogP0.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.51
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(prop-2-enyl) propanedioate;deca-1,9-diene
CID 174429542
prop-2-enyl 4-hydroxy-3-methylbut-3-enoate
CID 173153016
bis(prop-2-enyl) propanedioate;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
CID 70588479
azane;prop-2-enyl but-3-enoate
CID 88514758
bis(prop-2-enyl) 3-aminohex-3-enedioate
CID 139710356
azane;prop-2-enyl propanoate
CID 87729437
4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
prop-2-enyl 3-ethyliminobutanoate
CID 139895353
chloromethane;prop-2-enyl propanoate
CID 174815872
propan-2-one;prop-2-enyl propanoate
CID 174904905
CID 87856931
CID 87856931
bis(prop-2-enyl) carbonate;ethene
CID 87465968

Frequently Asked Questions

What is the IUPAC name of magnesium;bis(prop-2-enyl) propanedioate;hydride?
The IUPAC name of magnesium;bis(prop-2-enyl) propanedioate;hydride (CID 173327866) is magnesium;bis(prop-2-enyl) propanedioate;hydride.
What is the SMILES notation for magnesium;bis(prop-2-enyl) propanedioate;hydride?
The canonical SMILES for magnesium;bis(prop-2-enyl) propanedioate;hydride is C=CCOC(=O)CC(=O)OCC=C.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;bis(prop-2-enyl) propanedioate;hydride?
The InChIKey is OOHAYWUWEXGVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4.Mg.2H/c1-3-5-12-8(10)7-9(11)13-6-4-2;;;/h3-4H,1-2,5-7H2;;;/q;+2;2*-1.
What are the key properties of magnesium;bis(prop-2-enyl) propanedioate;hydride?
magnesium;bis(prop-2-enyl) propanedioate;hydride has a molecular weight of 210.51 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(prop-2-enyl) propanedioate;hydride is sourced from PubChem (CID 173327866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).