2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate

C239H334N42O97 — CID 159618328

IUPAC2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate
SMILESC=C(C)C(=O)OC(C)COCCCOCC(C)OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)C(=O)OCCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)CONCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)COOCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)COOCCOC(=O)NCCCC(CCCN=C=O)CN=C=O.C=CC(=O)OCC(COC(=O)C(=C)C)OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CC(=O)OCCOCCCOCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CCNC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CCOOCCOC(=O)NCCCC(CCCN=C=O)CN=C=O.C=Cc1ccc(NC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O)cc1.C=Cc1ccc(OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O)cc1
InChIInChI=1S/C24H37N3O10.C22H29N3O10.C21H27N3O10.C21H31N3O10.C19H22N4O5.C19H21N3O6.C18H25N3O8.C17H26N4O7.C17H25N3O8.C17H27N3O6.C16H25N3O6.C14H20N4O5.C14H19N3O6/c1-18(2)22(30)36-19(3)14-33-11-7-12-34-15-20(4)37-24(32)27-23(31)35-13-9-21(26-17-29)8-5-6-10-25-16-28;1-15(2)19(28)33-11-18(12-34-20(29)16(3)4)35-22(31)25-21(30)32-10-8-17(24-14-27)7-5-6-9-23-13-26;1-4-18(27)32-11-17(12-33-19(28)15(2)3)34-21(30)24-20(29)31-10-8-16(23-14-26)7-5-6-9-22-13-25;1-2-19(27)32-14-12-30-9-5-10-31-13-15-34-21(29)24-20(28)33-11-7-18(23-17-26)6-3-4-8-22-16-25;1-2-15-6-8-17(9-7-15)22-18(26)23-19(27)28-12-10-16(21-14-25)5-3-4-11-20-13-24;1-2-15-6-8-17(9-7-15)28-19(26)22-18(25)27-12-10-16(21-14-24)5-3-4-11-20-13-23;1-14(2)16(24)27-9-5-10-28-17(25)21-18(26)29-11-7-15(20-13-23)6-3-4-8-19-12-22;1-14(2)11-28-20-8-10-27-17(25)21-16(24)26-9-6-15(19-13-23)5-3-4-7-18-12-22;1-14(2)11-28-27-10-9-26-17(24)20-16(23)25-8-6-15(19-13-22)5-3-4-7-18-12-21;1-15(2)12-26-25-10-9-24-17(23)20-8-4-6-16(11-19-14-22)5-3-7-18-13-21;1-2-9-24-25-11-10-23-16(22)19-8-4-6-15(12-18-14-21)5-3-7-17-13-20;1-2-7-16-13(21)18-14(22)23-9-6-12(17-11-20)5-3-4-8-15-10-19;1-2-8-22-13(20)17-14(21)23-9-6-12(16-11-19)5-3-4-7-15-10-18/h19-21H,1,5-15H2,2-4H3,(H,27,31,32);17-18H,1,3,5-12H2,2,4H3,(H,25,30,31);4,16-17H,1-2,5-12H2,3H3,(H,24,29,30);2,18H,1,3-15H2,(H,24,28,29);2,6-9,16H,1,3-5,10-12H2,(H2,22,23,26,27);2,6-9,16H,1,3-5,10-12H2,(H,22,25,26);15H,1,3-11H2,2H3,(H,21,25,26);15,20H,1,3-11H2,2H3,(H,21,24,25);15H,1,3-11H2,2H3,(H,20,23,24);16H,1,3-12H2,2H3,(H,20,23);2,15H,1,3-12H2,(H,19,22);2,12H,1,3-9H2,(H2,16,18,21,22);2,12H,1,3-9H2,(H,17,20,21)
InChIKeyMNOMQHXFYMGDJP-UHFFFAOYSA-N
MW5347.50 g/mol
LogP26.54
Rot. Bonds192

About 2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate

2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate (PubChem CID 159618328) has the molecular formula C239H334N42O97 and a molecular weight of 5347.50 g/mol. Its IUPAC name is 2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate.

Molecular Properties

Compound Name2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate
PubChem CID159618328
Molecular FormulaC239H334N42O97
Molecular Weight5347.50 g/mol
Exact Mass5344.25
IUPAC Name2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate
SMILESC=C(C)C(=O)OC(C)COCCCOCC(C)OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)C(=O)OCCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)CONCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)COOCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)COOCCOC(=O)NCCCC(CCCN=C=O)CN=C=O.C=CC(=O)OCC(COC(=O)C(=C)C)OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CC(=O)OCCOCCCOCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CCNC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CCOOCCOC(=O)NCCCC(CCCN=C=O)CN=C=O.C=Cc1ccc(NC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O)cc1.C=Cc1ccc(OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O)cc1
InChIInChI=1S/C24H37N3O10.C22H29N3O10.C21H27N3O10.C21H31N3O10.C19H22N4O5.C19H21N3O6.C18H25N3O8.C17H26N4O7.C17H25N3O8.C17H27N3O6.C16H25N3O6.C14H20N4O5.C14H19N3O6/c1-18(2)22(30)36-19(3)14-33-11-7-12-34-15-20(4)37-24(32)27-23(31)35-13-9-21(26-17-29)8-5-6-10-25-16-28;1-15(2)19(28)33-11-18(12-34-20(29)16(3)4)35-22(31)25-21(30)32-10-8-17(24-14-27)7-5-6-9-23-13-26;1-4-18(27)32-11-17(12-33-19(28)15(2)3)34-21(30)24-20(29)31-10-8-16(23-14-26)7-5-6-9-22-13-25;1-2-19(27)32-14-12-30-9-5-10-31-13-15-34-21(29)24-20(28)33-11-7-18(23-17-26)6-3-4-8-22-16-25;1-2-15-6-8-17(9-7-15)22-18(26)23-19(27)28-12-10-16(21-14-25)5-3-4-11-20-13-24;1-2-15-6-8-17(9-7-15)28-19(26)22-18(25)27-12-10-16(21-14-24)5-3-4-11-20-13-23;1-14(2)16(24)27-9-5-10-28-17(25)21-18(26)29-11-7-15(20-13-23)6-3-4-8-19-12-22;1-14(2)11-28-20-8-10-27-17(25)21-16(24)26-9-6-15(19-13-23)5-3-4-7-18-12-22;1-14(2)11-28-27-10-9-26-17(24)20-16(23)25-8-6-15(19-13-22)5-3-4-7-18-12-21;1-15(2)12-26-25-10-9-24-17(23)20-8-4-6-16(11-19-14-22)5-3-7-18-13-21;1-2-9-24-25-11-10-23-16(22)19-8-4-6-15(12-18-14-21)5-3-7-17-13-20;1-2-7-16-13(21)18-14(22)23-9-6-12(17-11-20)5-3-4-8-15-10-19;1-2-8-22-13(20)17-14(21)23-9-6-12(16-11-19)5-3-4-7-15-10-18/h19-21H,1,5-15H2,2-4H3,(H,27,31,32);17-18H,1,3,5-12H2,2,4H3,(H,25,30,31);4,16-17H,1-2,5-12H2,3H3,(H,24,29,30);2,18H,1,3-15H2,(H,24,28,29);2,6-9,16H,1,3-5,10-12H2,(H2,22,23,26,27);2,6-9,16H,1,3-5,10-12H2,(H,22,25,26);15H,1,3-11H2,2H3,(H,21,25,26);15,20H,1,3-11H2,2H3,(H,21,24,25);15H,1,3-11H2,2H3,(H,20,23,24);16H,1,3-12H2,2H3,(H,20,23);2,15H,1,3-12H2,(H,19,22);2,12H,1,3-9H2,(H2,16,18,21,22);2,12H,1,3-9H2,(H,17,20,21)
InChIKeyMNOMQHXFYMGDJP-UHFFFAOYSA-N
XLogP26.54
TPSA1856.03 Ų
H-Bond Donors16
H-Bond Acceptors124
Rotatable Bonds192
Heavy Atoms378
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005347.50
LogP ≤ 526.54
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 10124

Analyze 2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[2-[[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamoyloxy]ethoxy]propoxy]ethyl 2-methylprop-2-enoate
CID 22892452
2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate
CID 22892479
2-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]ethyl 2,6-diisocyanatohexanoate
CID 22892435
[7-[(4-ethenylphenyl)carbamoylamino]-4-(isocyanatomethyl)heptyl] cyanate
CID 58114794
[2-[6-[3-[6-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]hexyl]-2,4,6-trioxo-5-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate
CID 126493099
4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;4-O-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl] 1-O-[2-(3-prop-2-enoyloxypropylcarbamoyloxy)-3-(3-trimethoxysilylpropoxy)propyl] butanedioate;3-isocyanatopropyl prop-2-enoate
CID 159808545
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate;styrene
CID 170853270
bis(3-ethylsilylpropyl prop-2-enoate);2-[2-(methoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate;tris(2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate);2-(methoxycarbonylamino)ethyl prop-2-enoate;2-methoxyethyl N-(3-ethylsilylpropyl)carbamate;bis(methyl N-(6-isocyanatohexyl)carbamate);methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate
CID 159362776
2-[1-[3-[2-(1-hydroxy-2-methylprop-2-enoxy)propoxy]propoxy]propan-2-yloxycarbonylamino]ethyl 2,6-diisocyanatohexanoate
CID 91198452
2-[2-(4-methylpentoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 166456371
[2-[(E)-[[1-(2-methylprop-2-enylperoxy)-3-prop-2-enylperoxypropan-2-yl]oxycarbonylamino]methyliminomethyl]peroxy-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate
CID 20654760
17-O-(2-ethylhexyl) 12-O-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxycarbonylamino]ethyl] 2-O-(2-methylpropyl) 7-O-(2-phenoxyethyl) 3,8-dimethylicosane-2,7,12,17-tetracarboxylate;2-ethylhexyl 2-methylprop-2-enoate;2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxycarbonylamino]ethyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;2-phenoxyethyl 2-methylprop-2-enoate
CID 159704396

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate?
The IUPAC name of 2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate (CID 159618328) is 2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate.
What is the SMILES notation for 2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate?
The canonical SMILES for 2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate is C=C(C)C(=O)OC(C)COCCCOCC(C)OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)C(=O)OCCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)CONCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)COOCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=C(C)COOCCOC(=O)NCCCC(CCCN=C=O)CN=C=O.C=CC(=O)OCC(COC(=O)C(=C)C)OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CC(=O)OCCOCCCOCCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CCNC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CCOC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O.C=CCOOCCOC(=O)NCCCC(CCCN=C=O)CN=C=O.C=Cc1ccc(NC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O)cc1.C=Cc1ccc(OC(=O)NC(=O)OCCC(CCCCN=C=O)N=C=O)cc1.
What is the InChIKey of 2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate?
The InChIKey is MNOMQHXFYMGDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O10.C22H29N3O10.C21H27N3O10.C21H31N3O10.C19H22N4O5.C19H21N3O6.C18H25N3O8.C17H26N4O7.C17H25N3O8.C17H27N3O6.C16H25N3O6.C14H20N4O5.C14H19N3O6/c1-18(2)22(30)36-19(3)14-33-11-7-12-34-15-20(4)37-24(32)27-23(31)35-13-9-21(26-17-29)8-5-6-10-25-16-28;1-15(2)19(28)33-11-18(12-34-20(29)16(3)4)35-22(31)25-21(30)32-10-8-17(24-14-27)7-5-6-9-23-13-26;1-4-18(27)32-11-17(12-33-19(28)15(2)3)34-21(30)24-20(29)31-10-8-16(23-14-26)7-5-6-9-22-13-25;1-2-19(27)32-14-12-30-9-5-10-31-13-15-34-21(29)24-20(28)33-11-7-18(23-17-26)6-3-4-8-22-16-25;1-2-15-6-8-17(9-7-15)22-18(26)23-19(27)28-12-10-16(21-14-25)5-3-4-11-20-13-24;1-2-15-6-8-17(9-7-15)28-19(26)22-18(25)27-12-10-16(21-14-24)5-3-4-11-20-13-23;1-14(2)16(24)27-9-5-10-28-17(25)21-18(26)29-11-7-15(20-13-23)6-3-4-8-19-12-22;1-14(2)11-28-20-8-10-27-17(25)21-16(24)26-9-6-15(19-13-23)5-3-4-7-18-12-22;1-14(2)11-28-27-10-9-26-17(24)20-16(23)25-8-6-15(19-13-22)5-3-4-7-18-12-21;1-15(2)12-26-25-10-9-24-17(23)20-8-4-6-16(11-19-14-22)5-3-7-18-13-21;1-2-9-24-25-11-10-23-16(22)19-8-4-6-15(12-18-14-21)5-3-7-17-13-20;1-2-7-16-13(21)18-14(22)23-9-6-12(17-11-20)5-3-4-8-15-10-19;1-2-8-22-13(20)17-14(21)23-9-6-12(16-11-19)5-3-4-7-15-10-18/h19-21H,1,5-15H2,2-4H3,(H,27,31,32);17-18H,1,3,5-12H2,2,4H3,(H,25,30,31);4,16-17H,1-2,5-12H2,3H3,(H,24,29,30);2,18H,1,3-15H2,(H,24,28,29);2,6-9,16H,1,3-5,10-12H2,(H2,22,23,26,27);2,6-9,16H,1,3-5,10-12H2,(H,22,25,26);15H,1,3-11H2,2H3,(H,21,25,26);15,20H,1,3-11H2,2H3,(H,21,24,25);15H,1,3-11H2,2H3,(H,20,23,24);16H,1,3-12H2,2H3,(H,20,23);2,15H,1,3-12H2,(H,19,22);2,12H,1,3-9H2,(H2,16,18,21,22);2,12H,1,3-9H2,(H,17,20,21).
What are the key properties of 2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate?
2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate has a molecular weight of 5347.50 g/mol, XLogP of 26.54, 192 rotatable bonds, 16 hydrogen bond donors, and 124 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)ethoxy]propoxy]ethyl prop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate;1-[3-[2-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propoxy]propoxy]propan-2-yl 2-methylprop-2-enoate;3-(3,7-diisocyanatoheptoxycarbonylcarbamoyloxy)propyl 2-methylprop-2-enoate;3,7-diisocyanatoheptyl N-[(4-ethenylphenyl)carbamoyl]carbamate;3,7-diisocyanatoheptyl N-(prop-2-enylcarbamoyl)carbamate;(4-ethenylphenyl) N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enoxyamino)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-(2-methylprop-2-enylperoxy)ethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate;prop-2-enyl N-(3,7-diisocyanatoheptoxycarbonyl)carbamate;2-prop-2-enylperoxyethyl N-[7-isocyanato-4-(isocyanatomethyl)heptyl]carbamate is sourced from PubChem (CID 159618328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).