magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate

C12H14Cl2MgO5 — CID 175139227

IUPACmagnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate
SMILESC=C(Oc1ccc(Cl)cc1Cl)C(=O)OC.CC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H8Cl2O3.C2H4O2.Mg.2H/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12;1-2(3)4;;;/h3-5H,1H2,2H3;1H3,(H,3,4);;;/q;;+2;2*-1
InChIKeySCFCZLCHSAKIOB-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.99
Rot. Bonds3

About magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate

magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate (PubChem CID 175139227) has the molecular formula C12H14Cl2MgO5 and a molecular weight of 333.45 g/mol. Its IUPAC name is magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate.

Molecular Properties

Compound Namemagnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate
PubChem CID175139227
Molecular FormulaC12H14Cl2MgO5
Molecular Weight333.45 g/mol
Exact Mass332.01
IUPAC Namemagnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate
SMILESC=C(Oc1ccc(Cl)cc1Cl)C(=O)OC.CC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H8Cl2O3.C2H4O2.Mg.2H/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12;1-2(3)4;;;/h3-5H,1H2,2H3;1H3,(H,3,4);;;/q;;+2;2*-1
InChIKeySCFCZLCHSAKIOB-UHFFFAOYSA-N
XLogP2.99
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dichlorophenoxy)but-2-enoic acid
CID 139622057
3-(2,4-dichlorophenoxy)but-2-enoyl chloride
CID 139622060
5-chloro-2-(2-methylprop-2-enoyloxy)benzoic acid
CID 22095550
5-chloro-2-(2,4-dichlorophenoxy)phenol;2-methylprop-2-enoic acid
CID 67533473
N-(2-cyanopropan-2-yl)-3-(2,4-dichlorophenoxy)but-2-enamide
CID 139622058
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
magnesium;4-(2,4-dichlorophenoxy)-2-methylpent-2-enedioic acid;hydride
CID 173046400
bis(2,4-dichlorophenyl) pentanedioate
CID 91739168
(Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid
CID 11947687
(2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 774847
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555

Frequently Asked Questions

What is the IUPAC name of magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate?
The IUPAC name of magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate (CID 175139227) is magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate.
What is the SMILES notation for magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate?
The canonical SMILES for magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate is C=C(Oc1ccc(Cl)cc1Cl)C(=O)OC.CC(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate?
The InChIKey is SCFCZLCHSAKIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O3.C2H4O2.Mg.2H/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12;1-2(3)4;;;/h3-5H,1H2,2H3;1H3,(H,3,4);;;/q;;+2;2*-1.
What are the key properties of magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate?
magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate has a molecular weight of 333.45 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate is sourced from PubChem (CID 175139227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).