[3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate

C34H32O6 — CID 146188807

About [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate

[3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 146188807) has the molecular formula C34H32O6 and a molecular weight of 536.62 g/mol. Its IUPAC name is [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate
• PubChem CID: 146188807
• Molecular Formula: C34H32O6
• Molecular Weight: 536.62 g/mol
• Exact Mass: 536.22
• IUPAC Name: [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate
• SMILES: C=CC(=O)OCC1CCc2ccc(-c3ccc(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)cc3C)cc21
• InChI: InChI=1S/C34H32O6/c1-7-32(35)38-19-26-11-9-23-8-10-25(17-30(23)26)28-14-12-24(16-22(28)6)29-15-13-27(39-33(36)20(2)3)18-31(29)40-34(37)21(4)5/h7-8,10,12-18,26H,1-2,4,9,11,19H2,3,5-6H3
• InChIKey: HRKXGBFCYQHBPV-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.62
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate?

The IUPAC name of [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate (CID 146188807) is [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate.

What is the SMILES notation for [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate?

The canonical SMILES for [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate is C=CC(=O)OCC1CCc2ccc(-c3ccc(-c4ccc(OC(=O)C(=C)C)cc4OC(=O)C(=C)C)cc3C)cc21.

What is the InChIKey of [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate?

The InChIKey is HRKXGBFCYQHBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O6/c1-7-32(35)38-19-26-11-9-23-8-10-25(17-30(23)26)28-14-12-24(16-22(28)6)29-15-13-27(39-33(36)20(2)3)18-31(29)40-34(37)21(4)5/h7-8,10,12-18,26H,1-2,4,9,11,19H2,3,5-6H3.

What are the key properties of [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate?

[3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 536.62 g/mol, XLogP of 7.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-methylprop-2-enoyloxy)-4-[3-methyl-4-[3-(prop-2-enoyloxymethyl)-2,3-dihydro-1H-inden-5-yl]phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 146188807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).