4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid)

C154H168O60 — CID 157357757

About 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid)

4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid) (PubChem CID 157357757) has the molecular formula C154H168O60 and a molecular weight of 2978.98 g/mol. Its IUPAC name is 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid).

Molecular Properties

• Compound Name: 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid)
• PubChem CID: 157357757
• Molecular Formula: C154H168O60
• Molecular Weight: 2978.98 g/mol
• Exact Mass: 2977.01
• IUPAC Name: 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid)
• SMILES: CCC(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC3CCC(C(=O)O)CC3)cc2)cc1.CCC(=O)OCOC(=O)Oc1ccc(OC(=O)c2ccc(C(=O)OC3CCC(C(=O)O)CC3)cc2)cc1.CCC(=O)OCOC(=O)c1ccc(C(=O)Oc2ccc(C(=O)OC3CCC(C(=O)O)CC3)cc2)cc1.CCC(=O)OCOC(=O)c1ccc(OC(=O)c2ccc(C(=O)OC3CCC(C(=O)O)CC3)cc2)cc1.CCC(=O)OCOc1ccc(OC(=O)C2CCC(OC(=O)C3CCC(C(=O)O)CC3)CC2)cc1.CCC(=O)OCOc1ccc(OC(=O)C2CCC(OC(=O)C3CCC(C(=O)O)CC3)CC2)cc1
• InChI: InChI=1S/2C26H26O11.2C26H26O10.2C25H32O9/c1-2-22(27)33-15-34-26(32)37-21-13-7-18(8-14-21)25(31)36-20-11-5-17(6-12-20)24(30)35-19-9-3-16(4-10-19)23(28)29;1-2-22(27)33-15-34-26(32)37-21-13-11-20(12-14-21)36-25(31)18-5-3-17(4-6-18)24(30)35-19-9-7-16(8-10-19)23(28)29;1-2-22(27)33-15-34-24(30)17-9-13-21(14-10-17)36-26(32)19-5-3-18(4-6-19)25(31)35-20-11-7-16(8-12-20)23(28)29;1-2-22(27)33-15-34-24(30)17-3-5-18(6-4-17)25(31)36-21-13-9-19(10-14-21)26(32)35-20-11-7-16(8-12-20)23(28)29;2*1-2-22(26)32-15-31-19-11-13-21(14-12-19)34-25(30)18-7-9-20(10-8-18)33-24(29)17-5-3-16(4-6-17)23(27)28/h5-8,11-14,16,19H,2-4,9-10,15H2,1H3,(H,28,29);3-6,11-14,16,19H,2,7-10,15H2,1H3,(H,28,29);2*3-6,9-10,13-14,16,20H,2,7-8,11-12,15H2,1H3,(H,28,29);2*11-14,16-18,20H,2-10,15H2,1H3,(H,27,28)
• InChIKey: BIHDNKHHZNDCEI-UHFFFAOYSA-N
• XLogP: 23.56
• TPSA: 839.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 54
• Rotatable Bonds: 54
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2978.98
LogP ≤ 5	23.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid)?

The IUPAC name of 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid) (CID 157357757) is 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid).

What is the SMILES notation for 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid)?

The canonical SMILES for 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid) is CCC(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC3CCC(C(=O)O)CC3)cc2)cc1.CCC(=O)OCOC(=O)Oc1ccc(OC(=O)c2ccc(C(=O)OC3CCC(C(=O)O)CC3)cc2)cc1.CCC(=O)OCOC(=O)c1ccc(C(=O)Oc2ccc(C(=O)OC3CCC(C(=O)O)CC3)cc2)cc1.CCC(=O)OCOC(=O)c1ccc(OC(=O)c2ccc(C(=O)OC3CCC(C(=O)O)CC3)cc2)cc1.CCC(=O)OCOc1ccc(OC(=O)C2CCC(OC(=O)C3CCC(C(=O)O)CC3)CC2)cc1.CCC(=O)OCOc1ccc(OC(=O)C2CCC(OC(=O)C3CCC(C(=O)O)CC3)CC2)cc1.

What is the InChIKey of 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid)?

The InChIKey is BIHDNKHHZNDCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26O11.2C26H26O10.2C25H32O9/c1-2-22(27)33-15-34-26(32)37-21-13-7-18(8-14-21)25(31)36-20-11-5-17(6-12-20)24(30)35-19-9-3-16(4-10-19)23(28)29;1-2-22(27)33-15-34-26(32)37-21-13-11-20(12-14-21)36-25(31)18-5-3-17(4-6-18)24(30)35-19-9-7-16(8-10-19)23(28)29;1-2-22(27)33-15-34-24(30)17-9-13-21(14-10-17)36-26(32)19-5-3-18(4-6-19)25(31)35-20-11-7-16(8-12-20)23(28)29;1-2-22(27)33-15-34-24(30)17-3-5-18(6-4-17)25(31)36-21-13-9-19(10-14-21)26(32)35-20-11-7-16(8-12-20)23(28)29;2*1-2-22(26)32-15-31-19-11-13-21(14-12-19)34-25(30)18-7-9-20(10-8-18)33-24(29)17-5-3-16(4-6-17)23(27)28/h5-8,11-14,16,19H,2-4,9-10,15H2,1H3,(H,28,29);3-6,11-14,16,19H,2,7-10,15H2,1H3,(H,28,29);2*3-6,9-10,13-14,16,20H,2,7-8,11-12,15H2,1H3,(H,28,29);2*11-14,16-18,20H,2-10,15H2,1H3,(H,27,28).

What are the key properties of 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid)?

4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid) has a molecular weight of 2978.98 g/mol, XLogP of 23.56, 54 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(propanoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyloxy)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(propanoyloxymethoxycarbonyl)phenoxy]carbonylbenzoyl]oxycyclohexane-1-carboxylic acid;bis(4-[4-[4-(propanoyloxymethoxy)phenoxy]carbonylcyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid) is sourced from PubChem (CID 157357757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).