bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium)

C175H244Br2N12O29V3 — CID 159228247

About bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium)

bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium) (PubChem CID 159228247) has the molecular formula C175H244Br2N12O29V3 and a molecular weight of 3292.57 g/mol. Its IUPAC name is bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium).

Molecular Properties

• Compound Name: bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium)
• PubChem CID: 159228247
• Molecular Formula: C175H244Br2N12O29V3
• Molecular Weight: 3292.57 g/mol
• Exact Mass: 3288.47
• IUPAC Name: bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium)
• SMILES: C.C.C.C.C=CCBr.C=CCBr.C=CCCC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2.C=CCCC(=O)c1cccc2c1CNC2.C=CCCO.C=CCCOc1cccc2c1CN(C(=O)OC(C)(C)C)C2.C=CCCOc1cccc2c1CNC2.C=CCN.C=CCOc1cc(C)cc2c1CN(C(=O)OC(C)(C)C)C2.C=CCOc1cccc2c1CN(C(=O)OC(C)(C)C)C2.C=CCOc1cccc2c1CNC2.CC(C)(C)OC(=O)N1Cc2cccc(C(=O)O)c2C1.CC(C)(C)OC(=O)N1Cc2cccc(O)c2C1.CC(C)(C)OC(=O)N1Cc2cccc(O)c2C1.Cc1cc(O)c2c(c1)CN(C(=O)OC(C)(C)C)C2.[V].[V].[V]
• InChI: InChI=1S/C18H23NO3.2C17H23NO3.C16H21NO3.C14H17NO4.C14H19NO3.2C13H17NO3.C13H15NO.C12H15NO.C11H13NO.C4H8O.2C3H5Br.C3H7N.4CH4.3V/c1-5-6-10-16(20)14-9-7-8-13-11-19(12-15(13)14)17(21)22-18(2,3)4;1-6-7-20-15-9-12(2)8-13-10-18(11-14(13)15)16(19)21-17(3,4)5;1-5-6-10-20-15-9-7-8-13-11-18(12-14(13)15)16(19)21-17(2,3)4;1-5-9-19-14-8-6-7-12-10-17(11-13(12)14)15(18)20-16(2,3)4;1-14(2,3)19-13(18)15-7-9-5-4-6-10(12(16)17)11(9)8-15;1-9-5-10-7-15(8-11(10)12(16)6-9)13(17)18-14(2,3)4;2*1-13(2,3)17-12(16)14-7-9-5-4-6-11(15)10(9)8-14;1-2-3-7-13(15)11-6-4-5-10-8-14-9-12(10)11;1-2-3-7-14-12-6-4-5-10-8-13-9-11(10)12;1-2-6-13-11-5-3-4-9-7-12-8-10(9)11;1-2-3-4-5;3*1-2-3-4;;;;;;;/h5,7-9H,1,6,10-12H2,2-4H3;6,8-9H,1,7,10-11H2,2-5H3;5,7-9H,1,6,10-12H2,2-4H3;5-8H,1,9-11H2,2-4H3;4-6H,7-8H2,1-3H3,(H,16,17);5-6,16H,7-8H2,1-4H3;2*4-6,15H,7-8H2,1-3H3;2,4-6,14H,1,3,7-9H2;2,4-6,13H,1,3,7-9H2;2-5,12H,1,6-8H2;2,5H,1,3-4H2;2*2H,1,3H2;2H,1,3-4H2;4*1H4
• InChIKey: QQSCLSBOSRJMCQ-UHFFFAOYSA-N
• XLogP: 39.06
• TPSA: 496.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3292.57
LogP ≤ 5	39.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium)?

The IUPAC name of bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium) (CID 159228247) is bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium).

What is the SMILES notation for bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium)?

The canonical SMILES for bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium) is C.C.C.C.C=CCBr.C=CCBr.C=CCCC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2.C=CCCC(=O)c1cccc2c1CNC2.C=CCCO.C=CCCOc1cccc2c1CN(C(=O)OC(C)(C)C)C2.C=CCCOc1cccc2c1CNC2.C=CCN.C=CCOc1cc(C)cc2c1CN(C(=O)OC(C)(C)C)C2.C=CCOc1cccc2c1CN(C(=O)OC(C)(C)C)C2.C=CCOc1cccc2c1CNC2.CC(C)(C)OC(=O)N1Cc2cccc(C(=O)O)c2C1.CC(C)(C)OC(=O)N1Cc2cccc(O)c2C1.CC(C)(C)OC(=O)N1Cc2cccc(O)c2C1.Cc1cc(O)c2c(c1)CN(C(=O)OC(C)(C)C)C2.[V].[V].[V].

What is the InChIKey of bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium)?

The InChIKey is QQSCLSBOSRJMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3.2C17H23NO3.C16H21NO3.C14H17NO4.C14H19NO3.2C13H17NO3.C13H15NO.C12H15NO.C11H13NO.C4H8O.2C3H5Br.C3H7N.4CH4.3V/c1-5-6-10-16(20)14-9-7-8-13-11-19(12-15(13)14)17(21)22-18(2,3)4;1-6-7-20-15-9-12(2)8-13-10-18(11-14(13)15)16(19)21-17(3,4)5;1-5-6-10-20-15-9-7-8-13-11-18(12-14(13)15)16(19)21-17(2,3)4;1-5-9-19-14-8-6-7-12-10-17(11-13(12)14)15(18)20-16(2,3)4;1-14(2,3)19-13(18)15-7-9-5-4-6-10(12(16)17)11(9)8-15;1-9-5-10-7-15(8-11(10)12(16)6-9)13(17)18-14(2,3)4;2*1-13(2,3)17-12(16)14-7-9-5-4-6-11(15)10(9)8-14;1-2-3-7-13(15)11-6-4-5-10-8-14-9-12(10)11;1-2-3-7-14-12-6-4-5-10-8-13-9-11(10)12;1-2-6-13-11-5-3-4-9-7-12-8-10(9)11;1-2-3-4-5;3*1-2-3-4;;;;;;;/h5,7-9H,1,6,10-12H2,2-4H3;6,8-9H,1,7,10-11H2,2-5H3;5,7-9H,1,6,10-12H2,2-4H3;5-8H,1,9-11H2,2-4H3;4-6H,7-8H2,1-3H3,(H,16,17);5-6,16H,7-8H2,1-4H3;2*4-6,15H,7-8H2,1-3H3;2,4-6,14H,1,3,7-9H2;2,4-6,13H,1,3,7-9H2;2-5,12H,1,6-8H2;2,5H,1,3-4H2;2*2H,1,3H2;2H,1,3-4H2;4*1H4;;;.

What are the key properties of bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium)?

bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium) has a molecular weight of 3292.57 g/mol, XLogP of 39.06, 31 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-bromoprop-1-ene);but-3-en-1-ol;4-but-3-enoxy-2,3-dihydro-1H-isoindole;tert-butyl 4-but-3-enoxy-1,3-dihydroisoindole-2-carboxylate;bis(tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate);tert-butyl 4-hydroxy-6-methyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 6-methyl-4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-pent-4-enoyl-1,3-dihydroisoindole-2-carboxylate;tert-butyl 4-prop-2-enoxy-1,3-dihydroisoindole-2-carboxylate;1-(2,3-dihydro-1H-isoindol-4-yl)pent-4-en-1-one;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid;prop-2-en-1-amine;4-prop-2-enoxy-2,3-dihydro-1H-isoindole;tris(vanadium) is sourced from PubChem (CID 159228247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).