[2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide

C64H75I6O8- — CID 159468041

About [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide

[2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide (PubChem CID 159468041) has the molecular formula C64H75I6O8- and a molecular weight of 1733.72 g/mol. Its IUPAC name is [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide.

Molecular Properties

• Compound Name: [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide
• PubChem CID: 159468041
• Molecular Formula: C64H75I6O8-
• Molecular Weight: 1733.72 g/mol
• Exact Mass: 1732.97
• IUPAC Name: [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide
• SMILES: C=C(C)C(=O)O.C=C(C)C(=O)OCC(COC(=O)C(=C)C)Cc1ccc(-c2ccc(-c3ccc(CCCC)cc3)cc2)cc1.CCCCc1ccc(-c2ccc(-c3ccc(CC(CO)CO)cc3)cc2)cc1.I.II.I[I-]I
• InChI: InChI=1S/C34H38O4.C26H30O2.C4H6O2.I3.I2.HI/c1-6-7-8-26-9-13-29(14-10-26)31-17-19-32(20-18-31)30-15-11-27(12-16-30)21-28(22-37-33(35)24(2)3)23-38-34(36)25(4)5;1-2-3-4-20-5-9-23(10-6-20)25-13-15-26(16-14-25)24-11-7-21(8-12-24)17-22(18-27)19-28;1-3(2)4(5)6;1-3-2;1-2;/h9-20,28H,2,4,6-8,21-23H2,1,3,5H3;5-16,22,27-28H,2-4,17-19H2,1H3;1H2,2H3,(H,5,6);;;1H/q;;;-1
• InChIKey: YLPGCSGKCDSEJR-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 130.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 23
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1733.72
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide?

The IUPAC name of [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide (CID 159468041) is [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide.

What is the SMILES notation for [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide?

The canonical SMILES for [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide is C=C(C)C(=O)O.C=C(C)C(=O)OCC(COC(=O)C(=C)C)Cc1ccc(-c2ccc(-c3ccc(CCCC)cc3)cc2)cc1.CCCCc1ccc(-c2ccc(-c3ccc(CC(CO)CO)cc3)cc2)cc1.I.II.I[I-]I.

What is the InChIKey of [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide?

The InChIKey is YLPGCSGKCDSEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O4.C26H30O2.C4H6O2.I3.I2.HI/c1-6-7-8-26-9-13-29(14-10-26)31-17-19-32(20-18-31)30-15-11-27(12-16-30)21-28(22-37-33(35)24(2)3)23-38-34(36)25(4)5;1-2-3-4-20-5-9-23(10-6-20)25-13-15-26(16-14-25)24-11-7-21(8-12-24)17-22(18-27)19-28;1-3(2)4(5)6;1-3-2;1-2;/h9-20,28H,2,4,6-8,21-23H2,1,3,5H3;5-16,22,27-28H,2-4,17-19H2,1H3;1H2,2H3,(H,5,6);;;1H/q;;;-1;;.

What are the key properties of [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide?

[2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide has a molecular weight of 1733.72 g/mol, XLogP of 15.08, 23 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;2-[[4-[4-(4-butylphenyl)phenyl]phenyl]methyl]propane-1,3-diol;2-methylprop-2-enoic acid;molecular iodine;triiodide;hydroiodide is sourced from PubChem (CID 159468041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).