[4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate

C73H82O14 — CID 90824743

About [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate

[4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate (PubChem CID 90824743) has the molecular formula C73H82O14 and a molecular weight of 1183.44 g/mol. Its IUPAC name is [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate.

Molecular Properties

• Compound Name: [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate
• PubChem CID: 90824743
• Molecular Formula: C73H82O14
• Molecular Weight: 1183.44 g/mol
• Exact Mass: 1182.57
• IUPAC Name: [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate
• SMILES: C=CC(=O)OC(C)COc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OCC(C)OC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCCCCCC(=O)Oc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OC(=O)OC(=O)C=C)cc3)cc2)cc1
• InChI: InChI=1S/C37H40O8.C36H42O6/c1-7-32(38)42-25-11-9-10-12-34(40)43-30-21-17-28(18-22-30)36(3,4)26-13-15-27(16-14-26)37(5,6)29-19-23-31(24-20-29)44-35(41)45-33(39)8-2;1-9-33(37)41-25(3)23-39-31-19-15-29(16-20-31)35(5,6)27-11-13-28(14-12-27)36(7,8)30-17-21-32(22-18-30)40-24-26(4)42-34(38)10-2/h7-8,13-24H,1-2,9-12,25H2,3-6H3;9-22,25-26H,1-2,23-24H2,3-8H3
• InChIKey: TYGIVPJGBGQWTH-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 176.26 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 28
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.44
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate?

The IUPAC name of [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate (CID 90824743) is [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate.

What is the SMILES notation for [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate?

The canonical SMILES for [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate is C=CC(=O)OC(C)COc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OCC(C)OC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCCCCCC(=O)Oc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OC(=O)OC(=O)C=C)cc3)cc2)cc1.

What is the InChIKey of [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate?

The InChIKey is TYGIVPJGBGQWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40O8.C36H42O6/c1-7-32(38)42-25-11-9-10-12-34(40)43-30-21-17-28(18-22-30)36(3,4)26-13-15-27(16-14-26)37(5,6)29-19-23-31(24-20-29)44-35(41)45-33(39)8-2;1-9-33(37)41-25(3)23-39-31-19-15-29(16-20-31)35(5,6)27-11-13-28(14-12-27)36(7,8)30-17-21-32(22-18-30)40-24-26(4)42-34(38)10-2/h7-8,13-24H,1-2,9-12,25H2,3-6H3;9-22,25-26H,1-2,23-24H2,3-8H3.

What are the key properties of [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate?

[4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate has a molecular weight of 1183.44 g/mol, XLogP of 15.09, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate is sourced from PubChem (CID 90824743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).