molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid

C221H263NO92 — CID 158274421

IUPACmolecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid
SMILESC=CC(=O)COc1ccc(OC(=O)c2ccc(OC(=O)C3CCC(C(=O)O)CC3)cc2)cc1.C=CC(=O)OCC(=O)OC1CCC(C(=O)O)CC1.C=CC(=O)OCC(=O)OC1CCC(C(=O)O)CC1.C=CC(=O)OCC(=O)Oc1ccc(C2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCNC(=O)c1ccc(C(=O)OC2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOC(=O)C1CCC(C(=O)O)CC1.C=CC(=O)OCOC(=O)OC1CCC(C(=O)O)CC1.C=CC(=O)OCOC(=O)OC1CCC(C(=O)OC2CCC(C(=O)O)CC2)CC1.C=CC(=O)OCOC(=O)OC1CCC(OC(=O)C2CCC(C(=O)O)CC2)CC1.C=CC(=O)OCOC(=O)Oc1ccc(C2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOC(=O)c1ccc(C(=O)OC2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOC(=O)c1ccc(OC(=O)C2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOc1ccc(C2CCC(C(=O)O)CC2)cc1.[H][H]
InChIInChI=1S/C25H24O8.C19H21NO7.2C19H26O9.2C19H20O8.C18H20O7.C18H20O6.C17H20O5.C12H16O7.3C12H16O6.H2/c1-2-19(26)15-31-20-11-13-22(14-12-20)33-25(30)18-7-9-21(10-8-18)32-24(29)17-5-3-16(4-6-17)23(27)28;1-2-16(21)26-11-20-17(22)12-3-5-14(6-4-12)19(25)27-15-9-7-13(8-10-15)18(23)24;1-2-16(20)25-11-26-19(24)28-15-9-5-13(6-10-15)18(23)27-14-7-3-12(4-8-14)17(21)22;1-2-16(20)25-11-26-19(24)28-15-9-7-14(8-10-15)27-18(23)13-5-3-12(4-6-13)17(21)22;1-2-16(20)25-11-26-18(23)13-3-5-14(6-4-13)19(24)27-15-9-7-12(8-10-15)17(21)22;1-2-16(20)25-11-26-18(23)13-7-9-15(10-8-13)27-19(24)14-5-3-12(4-6-14)17(21)22;1-2-16(19)23-11-24-18(22)25-15-9-7-13(8-10-15)12-3-5-14(6-4-12)17(20)21;1-2-16(19)23-11-17(20)24-15-9-7-13(8-10-15)12-3-5-14(6-4-12)18(21)22;1-2-16(18)22-11-21-15-9-7-13(8-10-15)12-3-5-14(6-4-12)17(19)20;1-2-10(13)17-7-18-12(16)19-9-5-3-8(4-6-9)11(14)15;1-2-10(13)17-7-18-12(16)9-5-3-8(4-6-9)11(14)15;2*1-2-10(13)17-7-11(14)18-9-5-3-8(4-6-9)12(15)16;/h2,7-14,16-17H,1,3-6,15H2,(H,27,28);2-6,13,15H,1,7-11H2,(H,20,22)(H,23,24);2*2,12-15H,1,3-11H2,(H,21,22);2-6,12,15H,1,7-11H2,(H,21,22);2,7-10,12,14H,1,3-6,11H2,(H,21,22);2,7-10,12,14H,1,3-6,11H2,(H,20,21);2,7-10,12,14H,1,3-6,11H2,(H,21,22);2,7-10,12,14H,1,3-6,11H2,(H,19,20);2,8-9H,1,3-7H2,(H,14,15);2,8-9H,1,3-7H2,(H,14,15);2*2,8-9H,1,3-7H2,(H,15,16);1H
InChIKeyGJKWMDJOMKQMEZ-UHFFFAOYSA-N
MW4405.45 g/mol
LogP29.20
Rot. Bonds82

About molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid

molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid (PubChem CID 158274421) has the molecular formula C221H263NO92 and a molecular weight of 4405.45 g/mol. Its IUPAC name is molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namemolecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid
PubChem CID158274421
Molecular FormulaC221H263NO92
Molecular Weight4405.45 g/mol
Exact Mass4402.59
IUPAC Namemolecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid
SMILESC=CC(=O)COc1ccc(OC(=O)c2ccc(OC(=O)C3CCC(C(=O)O)CC3)cc2)cc1.C=CC(=O)OCC(=O)OC1CCC(C(=O)O)CC1.C=CC(=O)OCC(=O)OC1CCC(C(=O)O)CC1.C=CC(=O)OCC(=O)Oc1ccc(C2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCNC(=O)c1ccc(C(=O)OC2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOC(=O)C1CCC(C(=O)O)CC1.C=CC(=O)OCOC(=O)OC1CCC(C(=O)O)CC1.C=CC(=O)OCOC(=O)OC1CCC(C(=O)OC2CCC(C(=O)O)CC2)CC1.C=CC(=O)OCOC(=O)OC1CCC(OC(=O)C2CCC(C(=O)O)CC2)CC1.C=CC(=O)OCOC(=O)Oc1ccc(C2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOC(=O)c1ccc(C(=O)OC2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOC(=O)c1ccc(OC(=O)C2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOc1ccc(C2CCC(C(=O)O)CC2)cc1.[H][H]
InChIInChI=1S/C25H24O8.C19H21NO7.2C19H26O9.2C19H20O8.C18H20O7.C18H20O6.C17H20O5.C12H16O7.3C12H16O6.H2/c1-2-19(26)15-31-20-11-13-22(14-12-20)33-25(30)18-7-9-21(10-8-18)32-24(29)17-5-3-16(4-6-17)23(27)28;1-2-16(21)26-11-20-17(22)12-3-5-14(6-4-12)19(25)27-15-9-7-13(8-10-15)18(23)24;1-2-16(20)25-11-26-19(24)28-15-9-5-13(6-10-15)18(23)27-14-7-3-12(4-8-14)17(21)22;1-2-16(20)25-11-26-19(24)28-15-9-7-14(8-10-15)27-18(23)13-5-3-12(4-6-13)17(21)22;1-2-16(20)25-11-26-18(23)13-3-5-14(6-4-13)19(24)27-15-9-7-12(8-10-15)17(21)22;1-2-16(20)25-11-26-18(23)13-7-9-15(10-8-13)27-19(24)14-5-3-12(4-6-14)17(21)22;1-2-16(19)23-11-24-18(22)25-15-9-7-13(8-10-15)12-3-5-14(6-4-12)17(20)21;1-2-16(19)23-11-17(20)24-15-9-7-13(8-10-15)12-3-5-14(6-4-12)18(21)22;1-2-16(18)22-11-21-15-9-7-13(8-10-15)12-3-5-14(6-4-12)17(19)20;1-2-10(13)17-7-18-12(16)19-9-5-3-8(4-6-9)11(14)15;1-2-10(13)17-7-18-12(16)9-5-3-8(4-6-9)11(14)15;2*1-2-10(13)17-7-11(14)18-9-5-3-8(4-6-9)12(15)16;/h2,7-14,16-17H,1,3-6,15H2,(H,27,28);2-6,13,15H,1,7-11H2,(H,20,22)(H,23,24);2*2,12-15H,1,3-11H2,(H,21,22);2-6,12,15H,1,7-11H2,(H,21,22);2,7-10,12,14H,1,3-6,11H2,(H,21,22);2,7-10,12,14H,1,3-6,11H2,(H,20,21);2,7-10,12,14H,1,3-6,11H2,(H,21,22);2,7-10,12,14H,1,3-6,11H2,(H,19,20);2,8-9H,1,3-7H2,(H,14,15);2,8-9H,1,3-7H2,(H,14,15);2*2,8-9H,1,3-7H2,(H,15,16);1H
InChIKeyGJKWMDJOMKQMEZ-UHFFFAOYSA-N
XLogP29.20
TPSA1349.15 Ų
H-Bond Donors14
H-Bond Acceptors79
Rotatable Bonds82
Heavy Atoms314
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004405.45
LogP ≤ 529.20
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1079

Analyze molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexyl]oxycarbonylbenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylbenzoyl]oxycyclohexane-1-carboxylic acid
CID 159888548
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
4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxybenzoyl]oxycyclohexane-1-carboxylic acid
CID 131973821
4-[4-[4-(2-prop-2-enoyloxyacetyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid
CID 131973747
4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid
CID 131973742
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
4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexane-1-carboxylic acid
CID 131973726
4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 131973799
[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(2-oxobut-3-enoxy)benzoate
CID 58309233
methane;[4-[[4-(4-pentylcyclohexyl)phenyl]methyl]phenoxy]methyl prop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]phenyl]benzoate;prop-2-enoyloxymethyl prop-2-enoate
CID 157142839
[4-(4-methylcyclohexyl)phenyl] 4-(2-oxobut-3-enoxy)benzoate
CID 121338868
[4-(2-oxobut-3-enoxymethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 118135056

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid?
The IUPAC name of molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid (CID 158274421) is molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid?
The canonical SMILES for molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid is C=CC(=O)COc1ccc(OC(=O)c2ccc(OC(=O)C3CCC(C(=O)O)CC3)cc2)cc1.C=CC(=O)OCC(=O)OC1CCC(C(=O)O)CC1.C=CC(=O)OCC(=O)OC1CCC(C(=O)O)CC1.C=CC(=O)OCC(=O)Oc1ccc(C2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCNC(=O)c1ccc(C(=O)OC2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOC(=O)C1CCC(C(=O)O)CC1.C=CC(=O)OCOC(=O)OC1CCC(C(=O)O)CC1.C=CC(=O)OCOC(=O)OC1CCC(C(=O)OC2CCC(C(=O)O)CC2)CC1.C=CC(=O)OCOC(=O)OC1CCC(OC(=O)C2CCC(C(=O)O)CC2)CC1.C=CC(=O)OCOC(=O)Oc1ccc(C2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOC(=O)c1ccc(C(=O)OC2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOC(=O)c1ccc(OC(=O)C2CCC(C(=O)O)CC2)cc1.C=CC(=O)OCOc1ccc(C2CCC(C(=O)O)CC2)cc1.[H][H].
What is the InChIKey of molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid?
The InChIKey is GJKWMDJOMKQMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O8.C19H21NO7.2C19H26O9.2C19H20O8.C18H20O7.C18H20O6.C17H20O5.C12H16O7.3C12H16O6.H2/c1-2-19(26)15-31-20-11-13-22(14-12-20)33-25(30)18-7-9-21(10-8-18)32-24(29)17-5-3-16(4-6-17)23(27)28;1-2-16(21)26-11-20-17(22)12-3-5-14(6-4-12)19(25)27-15-9-7-13(8-10-15)18(23)24;1-2-16(20)25-11-26-19(24)28-15-9-5-13(6-10-15)18(23)27-14-7-3-12(4-8-14)17(21)22;1-2-16(20)25-11-26-19(24)28-15-9-7-14(8-10-15)27-18(23)13-5-3-12(4-6-13)17(21)22;1-2-16(20)25-11-26-18(23)13-3-5-14(6-4-13)19(24)27-15-9-7-12(8-10-15)17(21)22;1-2-16(20)25-11-26-18(23)13-7-9-15(10-8-13)27-19(24)14-5-3-12(4-6-14)17(21)22;1-2-16(19)23-11-24-18(22)25-15-9-7-13(8-10-15)12-3-5-14(6-4-12)17(20)21;1-2-16(19)23-11-17(20)24-15-9-7-13(8-10-15)12-3-5-14(6-4-12)18(21)22;1-2-16(18)22-11-21-15-9-7-13(8-10-15)12-3-5-14(6-4-12)17(19)20;1-2-10(13)17-7-18-12(16)19-9-5-3-8(4-6-9)11(14)15;1-2-10(13)17-7-18-12(16)9-5-3-8(4-6-9)11(14)15;2*1-2-10(13)17-7-11(14)18-9-5-3-8(4-6-9)12(15)16;/h2,7-14,16-17H,1,3-6,15H2,(H,27,28);2-6,13,15H,1,7-11H2,(H,20,22)(H,23,24);2*2,12-15H,1,3-11H2,(H,21,22);2-6,12,15H,1,7-11H2,(H,21,22);2,7-10,12,14H,1,3-6,11H2,(H,21,22);2,7-10,12,14H,1,3-6,11H2,(H,20,21);2,7-10,12,14H,1,3-6,11H2,(H,21,22);2,7-10,12,14H,1,3-6,11H2,(H,19,20);2,8-9H,1,3-7H2,(H,14,15);2,8-9H,1,3-7H2,(H,14,15);2*2,8-9H,1,3-7H2,(H,15,16);1H.
What are the key properties of molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid?
molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid has a molecular weight of 4405.45 g/mol, XLogP of 29.20, 82 rotatable bonds, 14 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;4-[4-[4-(2-oxobut-3-enoxy)phenoxy]carbonylphenoxy]carbonylcyclohexane-1-carboxylic acid;bis(4-(2-prop-2-enoyloxyacetyl)oxycyclohexane-1-carboxylic acid);4-[4-(2-prop-2-enoyloxyacetyl)oxyphenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)benzoyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyl)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxycarbonyl)phenoxy]carbonylcyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid;4-[4-(prop-2-enoyloxymethylcarbamoyl)benzoyl]oxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 158274421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).