[4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate

C112H134N4O24 — CID 161079882

About [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate

[4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate (PubChem CID 161079882) has the molecular formula C112H134N4O24 and a molecular weight of 1920.31 g/mol. Its IUPAC name is [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate.

Molecular Properties

• Compound Name: [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate
• PubChem CID: 161079882
• Molecular Formula: C112H134N4O24
• Molecular Weight: 1920.31 g/mol
• Exact Mass: 1918.94
• IUPAC Name: [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate
• SMILES: C=CC(=O)OCCCCCCOC(=O)c1ccc(OC)cc1.C=CC(=O)OCCCCCCOc1ccc(OC)cc1.C=CC(=O)OCCCCOC(=O)c1ccc(OC)cc1.C=CC(=O)OCCCCOc1ccc(OC)cc1.CC(=O)C1CCC(C(=O)Oc2cc(CNN(c3ccccc3)c3ccccc3)c(OC(=O)C3CCC(C(C)=O)CC3)cc2CNN(c2ccccc2)c2ccccc2)CC1
• InChI: InChI=1S/C50H54N4O6.C17H22O5.C16H22O4.C15H18O5.C14H18O4/c1-35(55)37-23-27-39(28-24-37)49(57)59-47-31-42(34-52-54(45-19-11-5-12-20-45)46-21-13-6-14-22-46)48(60-50(58)40-29-25-38(26-30-40)36(2)56)32-41(47)33-51-53(43-15-7-3-8-16-43)44-17-9-4-10-18-44;1-3-16(18)21-12-6-4-5-7-13-22-17(19)14-8-10-15(20-2)11-9-14;1-3-16(17)20-13-7-5-4-6-12-19-15-10-8-14(18-2)9-11-15;1-3-14(16)19-10-4-5-11-20-15(17)12-6-8-13(18-2)9-7-12;1-3-14(15)18-11-5-4-10-17-13-8-6-12(16-2)7-9-13/h3-22,31-32,37-40,51-52H,23-30,33-34H2,1-2H3;3,8-11H,1,4-7,12-13H2,2H3;3,8-11H,1,4-7,12-13H2,2H3;3,6-9H,1,4-5,10-11H2,2H3;3,6-9H,1,4-5,10-11H2,2H3
• InChIKey: UFTSBBZTYFGOOK-UHFFFAOYSA-N
• XLogP: 21.42
• TPSA: 330.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 52
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1920.31
LogP ≤ 5	21.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate?

The IUPAC name of [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate (CID 161079882) is [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate.

What is the SMILES notation for [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate?

The canonical SMILES for [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate is C=CC(=O)OCCCCCCOC(=O)c1ccc(OC)cc1.C=CC(=O)OCCCCCCOc1ccc(OC)cc1.C=CC(=O)OCCCCOC(=O)c1ccc(OC)cc1.C=CC(=O)OCCCCOc1ccc(OC)cc1.CC(=O)C1CCC(C(=O)Oc2cc(CNN(c3ccccc3)c3ccccc3)c(OC(=O)C3CCC(C(C)=O)CC3)cc2CNN(c2ccccc2)c2ccccc2)CC1.

What is the InChIKey of [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate?

The InChIKey is UFTSBBZTYFGOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54N4O6.C17H22O5.C16H22O4.C15H18O5.C14H18O4/c1-35(55)37-23-27-39(28-24-37)49(57)59-47-31-42(34-52-54(45-19-11-5-12-20-45)46-21-13-6-14-22-46)48(60-50(58)40-29-25-38(26-30-40)36(2)56)32-41(47)33-51-53(43-15-7-3-8-16-43)44-17-9-4-10-18-44;1-3-16(18)21-12-6-4-5-7-13-22-17(19)14-8-10-15(20-2)11-9-14;1-3-16(17)20-13-7-5-4-6-12-19-15-10-8-14(18-2)9-11-15;1-3-14(16)19-10-4-5-11-20-15(17)12-6-8-13(18-2)9-7-12;1-3-14(15)18-11-5-4-10-17-13-8-6-12(16-2)7-9-13/h3-22,31-32,37-40,51-52H,23-30,33-34H2,1-2H3;3,8-11H,1,4-7,12-13H2,2H3;3,8-11H,1,4-7,12-13H2,2H3;3,6-9H,1,4-5,10-11H2,2H3;3,6-9H,1,4-5,10-11H2,2H3.

What are the key properties of [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate?

[4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate has a molecular weight of 1920.31 g/mol, XLogP of 21.42, 52 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate is sourced from PubChem (CID 161079882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).