magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride

C59H80Cl3MgNaO23 — CID 158408185

About magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride

magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride (PubChem CID 158408185) has the molecular formula C59H80Cl3MgNaO23 and a molecular weight of 1310.92 g/mol. Its IUPAC name is magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride.

Molecular Properties

• Compound Name: magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride
• PubChem CID: 158408185
• Molecular Formula: C59H80Cl3MgNaO23
• Molecular Weight: 1310.92 g/mol
• Exact Mass: 1308.39
• IUPAC Name: magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride
• SMILES: C=C(C)C(=O)OCC(=O)OC.C=C(C)C(=O)[O-].CC1(C)CC2(CC3C=CC2O3)C(=O)O1.CC1(C)CC2(CC3CCC2O3)C(=O)O1.CC1(C)CC2(CC3CCC2O3)C(=O)O1.COC(=O)CCl.O=C(O)CCl.O=C1CC2(CC3C=CC2O3)C(=O)O1.[CH3-].[Cl-].[Mg+2].[Na+]
• InChI: InChI=1S/2C11H16O3.C11H14O3.C9H8O4.C7H10O4.C4H6O2.C3H5ClO2.C2H3ClO2.CH3.ClH.Mg.Na/c3*1-10(2)6-11(9(12)14-10)5-7-3-4-8(11)13-7;10-7-4-9(8(11)13-7)3-5-1-2-6(9)12-5;1-5(2)7(9)11-4-6(8)10-3;1-3(2)4(5)6;1-6-3(5)2-4;3-1-2(4)5;;;;/h2*7-8H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;1-2,5-6H,3-4H2;1,4H2,2-3H3;1H2,2H3,(H,5,6);2H2,1H3;1H2,(H,4,5);1H3;1H;;/q;;;;;;;;-1;;+2;+1/p-2
• InChIKey: FNIREDIJEFLINU-UHFFFAOYSA-L
• XLogP: -0.73
• TPSA: 315.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1310.92
LogP ≤ 5	-0.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride?

The IUPAC name of magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride (CID 158408185) is magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride.

What is the SMILES notation for magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride?

The canonical SMILES for magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride is C=C(C)C(=O)OCC(=O)OC.C=C(C)C(=O)[O-].CC1(C)CC2(CC3C=CC2O3)C(=O)O1.CC1(C)CC2(CC3CCC2O3)C(=O)O1.CC1(C)CC2(CC3CCC2O3)C(=O)O1.COC(=O)CCl.O=C(O)CCl.O=C1CC2(CC3C=CC2O3)C(=O)O1.[CH3-].[Cl-].[Mg+2].[Na+].

What is the InChIKey of magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride?

The InChIKey is FNIREDIJEFLINU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H16O3.C11H14O3.C9H8O4.C7H10O4.C4H6O2.C3H5ClO2.C2H3ClO2.CH3.ClH.Mg.Na/c3*1-10(2)6-11(9(12)14-10)5-7-3-4-8(11)13-7;10-7-4-9(8(11)13-7)3-5-1-2-6(9)12-5;1-5(2)7(9)11-4-6(8)10-3;1-3(2)4(5)6;1-6-3(5)2-4;3-1-2(4)5;;;;/h2*7-8H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;1-2,5-6H,3-4H2;1,4H2,2-3H3;1H2,2H3,(H,5,6);2H2,1H3;1H2,(H,4,5);1H3;1H;;/q;;;;;;;;-1;;+2;+1/p-2.

What are the key properties of magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride?

magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride has a molecular weight of 1310.92 g/mol, XLogP of -0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;sodium;carbanide;2-chloroacetic acid;bis(5',5'-dimethylspiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-dimethylspiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[7-oxabicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride is sourced from PubChem (CID 158408185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).