4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid

C180H252O70 — CID 158563920

IUPAC4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid
SMILESC=CC(=O)OCC(=O)OC1CCC(C(=O)OC2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCC(=O)OC1CCC(OC(=O)C2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC(=O)C1CCC(C(=O)OC2CCC(OC(=O)C3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC(=O)OC1CCC(C(=O)OC2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC(=O)OC1CCC(OC(=O)C2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC1CCC(C(=O)OC2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC1CCC(OC(=O)C2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1
InChIInChI=1S/2C26H36O11.3C26H36O10.2C25H36O9/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)33-15-23(28)34-19-11-5-17(6-12-19)25(31)36-21-13-7-18(8-14-21)26(32)35-20-9-3-16(4-10-20)24(29)30;1-2-22(27)33-15-23(28)34-19-11-13-21(14-12-19)36-26(32)18-5-3-17(4-6-18)25(31)35-20-9-7-16(8-10-20)24(29)30;1-2-22(27)33-15-34-24(30)17-7-9-19(10-8-17)26(32)36-21-13-11-20(12-14-21)35-25(31)18-5-3-16(4-6-18)23(28)29;1-2-22(26)32-15-31-19-9-5-17(6-10-19)24(29)34-21-13-7-18(8-14-21)25(30)33-20-11-3-16(4-12-20)23(27)28;1-2-22(26)32-15-31-19-11-13-21(14-12-19)34-25(30)18-5-3-17(4-6-18)24(29)33-20-9-7-16(8-10-20)23(27)28/h2*2,16-21H,1,3-15H2,(H,28,29);2*2,16-21H,1,3-15H2,(H,29,30);2,16-21H,1,3-15H2,(H,28,29);2*2,16-21H,1,3-15H2,(H,27,28)
InChIKeyHRFRLYJMTXQOMT-UHFFFAOYSA-N
MW3535.93 g/mol
LogP23.95
Rot. Bonds63

About 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid

4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid (PubChem CID 158563920) has the molecular formula C180H252O70 and a molecular weight of 3535.93 g/mol. Its IUPAC name is 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid
PubChem CID158563920
Molecular FormulaC180H252O70
Molecular Weight3535.93 g/mol
Exact Mass3533.62
IUPAC Name4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid
SMILESC=CC(=O)OCC(=O)OC1CCC(C(=O)OC2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCC(=O)OC1CCC(OC(=O)C2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC(=O)C1CCC(C(=O)OC2CCC(OC(=O)C3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC(=O)OC1CCC(C(=O)OC2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC(=O)OC1CCC(OC(=O)C2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC1CCC(C(=O)OC2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC1CCC(OC(=O)C2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1
InChIInChI=1S/2C26H36O11.3C26H36O10.2C25H36O9/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)33-15-23(28)34-19-11-5-17(6-12-19)25(31)36-21-13-7-18(8-14-21)26(32)35-20-9-3-16(4-10-20)24(29)30;1-2-22(27)33-15-23(28)34-19-11-13-21(14-12-19)36-26(32)18-5-3-17(4-6-18)25(31)35-20-9-7-16(8-10-20)24(29)30;1-2-22(27)33-15-34-24(30)17-7-9-19(10-8-17)26(32)36-21-13-11-20(12-14-21)35-25(31)18-5-3-16(4-6-18)23(28)29;1-2-22(26)32-15-31-19-9-5-17(6-10-19)24(29)34-21-13-7-18(8-14-21)25(30)33-20-11-3-16(4-12-20)23(27)28;1-2-22(26)32-15-31-19-11-13-21(14-12-19)34-25(30)18-5-3-17(4-6-18)24(29)33-20-9-7-16(8-10-20)23(27)28/h2*2,16-21H,1,3-15H2,(H,28,29);2*2,16-21H,1,3-15H2,(H,29,30);2,16-21H,1,3-15H2,(H,28,29);2*2,16-21H,1,3-15H2,(H,27,28)
InChIKeyHRFRLYJMTXQOMT-UHFFFAOYSA-N
XLogP23.95
TPSA981.82 Ų
H-Bond Donors7
H-Bond Acceptors63
Rotatable Bonds63
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003535.93
LogP ≤ 523.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1063

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid (CID 158563920) is 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid is C=CC(=O)OCC(=O)OC1CCC(C(=O)OC2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCC(=O)OC1CCC(OC(=O)C2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC(=O)C1CCC(C(=O)OC2CCC(OC(=O)C3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC(=O)OC1CCC(C(=O)OC2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC(=O)OC1CCC(OC(=O)C2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC1CCC(C(=O)OC2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.C=CC(=O)OCOC1CCC(OC(=O)C2CCC(C(=O)OC3CCC(C(=O)O)CC3)CC2)CC1.
What is the InChIKey of 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid?
The InChIKey is HRFRLYJMTXQOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H36O11.3C26H36O10.2C25H36O9/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)33-15-23(28)34-19-11-5-17(6-12-19)25(31)36-21-13-7-18(8-14-21)26(32)35-20-9-3-16(4-10-20)24(29)30;1-2-22(27)33-15-23(28)34-19-11-13-21(14-12-19)36-26(32)18-5-3-17(4-6-18)25(31)35-20-9-7-16(8-10-20)24(29)30;1-2-22(27)33-15-34-24(30)17-7-9-19(10-8-17)26(32)36-21-13-11-20(12-14-21)35-25(31)18-5-3-16(4-6-18)23(28)29;1-2-22(26)32-15-31-19-9-5-17(6-10-19)24(29)34-21-13-7-18(8-14-21)25(30)33-20-11-3-16(4-12-20)23(27)28;1-2-22(26)32-15-31-19-11-13-21(14-12-19)34-25(30)18-5-3-17(4-6-18)24(29)33-20-9-7-16(8-10-20)23(27)28/h2*2,16-21H,1,3-15H2,(H,28,29);2*2,16-21H,1,3-15H2,(H,29,30);2,16-21H,1,3-15H2,(H,28,29);2*2,16-21H,1,3-15H2,(H,27,28).
What are the key properties of 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid?
4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid has a molecular weight of 3535.93 g/mol, XLogP of 23.95, 63 rotatable bonds, 7 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 158563920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).