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

C70H102Cl3MgNaO19 — CID 160683534

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

magnesium;sodium;2-chloroacetic acid;bis(5',5'-diethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-diethylspiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;ethane;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride (PubChem CID 160683534) has the molecular formula C70H102Cl3MgNaO19 and a molecular weight of 1401.22 g/mol. Its IUPAC name is magnesium;sodium;2-chloroacetic acid;bis(5',5'-diethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-diethylspiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;ethane;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride.

Molecular Properties

• Compound Name: magnesium;sodium;2-chloroacetic acid;bis(5',5'-diethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-diethylspiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;ethane;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride
• PubChem CID: 160683534
• Molecular Formula: C70H102Cl3MgNaO19
• Molecular Weight: 1401.22 g/mol
• Exact Mass: 1398.58
• IUPAC Name: magnesium;sodium;2-chloroacetic acid;bis(5',5'-diethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-diethylspiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;ethane;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[bicyclo[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-].CCC1(CC)CC2(CC3C=CC2C3)C(=O)O1.CCC1(CC)CC2(CC3CCC2C3)C(=O)O1.CCC1(CC)CC2(CC3CCC2C3)C(=O)O1.COC(=O)CCl.O=C(O)CCl.O=C1CC2(CC3C=CC2C3)C(=O)O1.[CH2-]C.[Cl-].[Mg+2].[Na+]
• InChI: InChI=1S/2C14H22O2.C14H20O2.C10H10O3.C7H10O4.C4H6O2.C3H5ClO2.C2H3ClO2.C2H5.ClH.Mg.Na/c3*1-3-13(4-2)9-14(12(15)16-13)8-10-5-6-11(14)7-10;11-8-5-10(9(12)13-8)4-6-1-2-7(10)3-6;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;1-2;;;/h2*10-11H,3-9H2,1-2H3;5-6,10-11H,3-4,7-9H2,1-2H3;1-2,6-7H,3-5H2;1,4H2,2-3H3;1H2,2H3,(H,5,6);2H2,1H3;1H2,(H,4,5);1H2,2H3;1H;;/q;;;;;;;;-1;;+2;+1/p-2
• InChIKey: RQFIOTJWPUCYQK-UHFFFAOYSA-L
• XLogP: 5.48
• TPSA: 278.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1401.22
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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;2-chloroacetic acid;bis(5',5'-diethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-diethylspiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;ethane;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride?

The IUPAC name of magnesium;sodium;2-chloroacetic acid;bis(5',5'-diethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-diethylspiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;ethane;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride (CID 160683534) is magnesium;sodium;2-chloroacetic acid;bis(5',5'-diethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-diethylspiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;ethane;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride.

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

The canonical SMILES for magnesium;sodium;2-chloroacetic acid;bis(5',5'-diethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-diethylspiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;ethane;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[bicyclo[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-].CCC1(CC)CC2(CC3C=CC2C3)C(=O)O1.CCC1(CC)CC2(CC3CCC2C3)C(=O)O1.CCC1(CC)CC2(CC3CCC2C3)C(=O)O1.COC(=O)CCl.O=C(O)CCl.O=C1CC2(CC3C=CC2C3)C(=O)O1.[CH2-]C.[Cl-].[Mg+2].[Na+].

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

The InChIKey is RQFIOTJWPUCYQK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H22O2.C14H20O2.C10H10O3.C7H10O4.C4H6O2.C3H5ClO2.C2H3ClO2.C2H5.ClH.Mg.Na/c3*1-3-13(4-2)9-14(12(15)16-13)8-10-5-6-11(14)7-10;11-8-5-10(9(12)13-8)4-6-1-2-7(10)3-6;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;1-2;;;/h2*10-11H,3-9H2,1-2H3;5-6,10-11H,3-4,7-9H2,1-2H3;1-2,6-7H,3-5H2;1,4H2,2-3H3;1H2,2H3,(H,5,6);2H2,1H3;1H2,(H,4,5);1H2,2H3;1H;;/q;;;;;;;;-1;;+2;+1/p-2.

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

magnesium;sodium;2-chloroacetic acid;bis(5',5'-diethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-diethylspiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;ethane;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride has a molecular weight of 1401.22 g/mol, XLogP of 5.48, 12 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;sodium;2-chloroacetic acid;bis(5',5'-diethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one);5',5'-diethylspiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;ethane;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;methyl 2-chloroacetate;2-methylprop-2-enoate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2',5'-dione;chloride is sourced from PubChem (CID 160683534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).