4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate

C119H180N10O60 — CID 158253567

About 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate

4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate (PubChem CID 158253567) has the molecular formula C119H180N10O60 and a molecular weight of 2710.76 g/mol. Its IUPAC name is 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate.

Molecular Properties

• Compound Name: 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate
• PubChem CID: 158253567
• Molecular Formula: C119H180N10O60
• Molecular Weight: 2710.76 g/mol
• Exact Mass: 2709.13
• IUPAC Name: 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate
• SMILES: CCN(CC)C(=O)OCCOC(=O)/C=C/C(=O)OC.CCNC(=O)OCCOC(=O)/C=C/C(=O)OC.CNC(=O)OCCOC(=O)/C=C/C(=O)OC.COC(=O)/C=C/C(=O)OCCOC(=O)N(C)C.COC(=O)/C=C/C(=O)OCCOC(=O)N1CCCCC1.COC(=O)/C=C/C(=O)OCCOC(=O)N1CCCCC1.COC(=O)/C=C/C(=O)OCCOC(=O)NC(C)(C)C.COC(=O)/C=C/C(=O)OCCOC(=O)NC(C)C.COC(=O)/C=C/C(=O)OCCOC(=O)NC1CCCCC1.COC(=O)/C=C/C(=O)OCCOC(=O)NCC1CCCCC1
• InChI: InChI=1S/C15H23NO6.C14H21NO6.2C13H19NO6.2C12H19NO6.C11H17NO6.2C10H15NO6.C9H13NO6/c1-20-13(17)7-8-14(18)21-9-10-22-15(19)16-11-12-5-3-2-4-6-12;1-19-12(16)7-8-13(17)20-9-10-21-14(18)15-11-5-3-2-4-6-11;2*1-18-11(15)5-6-12(16)19-9-10-20-13(17)14-7-3-2-4-8-14;1-12(2,3)13-11(16)19-8-7-18-10(15)6-5-9(14)17-4;1-4-13(5-2)12(16)19-9-8-18-11(15)7-6-10(14)17-3;1-8(2)12-11(15)18-7-6-17-10(14)5-4-9(13)16-3;1-11(2)10(14)17-7-6-16-9(13)5-4-8(12)15-3;1-3-11-10(14)17-7-6-16-9(13)5-4-8(12)15-2;1-10-9(13)16-6-5-15-8(12)4-3-7(11)14-2/h7-8,12H,2-6,9-11H2,1H3,(H,16,19);7-8,11H,2-6,9-10H2,1H3,(H,15,18);2*5-6H,2-4,7-10H2,1H3;5-6H,7-8H2,1-4H3,(H,13,16);6-7H,4-5,8-9H2,1-3H3;4-5,8H,6-7H2,1-3H3,(H,12,15);4-5H,6-7H2,1-3H3;4-5H,3,6-7H2,1-2H3,(H,11,14);3-4H,5-6H2,1-2H3,(H,10,13)/b2*8-7+;3*6-5+;7-6+;3*5-4+;4-3+
• InChIKey: GGZUEQFPSDUOTE-GQCQVHIRSA-N
• XLogP: 6.14
• TPSA: 874.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 60
• Rotatable Bonds: 57
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2710.76
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	60

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'}

Frequently Asked Questions

What is the IUPAC name of 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate?

The IUPAC name of 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate (CID 158253567) is 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate.

What is the SMILES notation for 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate?

The canonical SMILES for 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate is CCN(CC)C(=O)OCCOC(=O)/C=C/C(=O)OC.CCNC(=O)OCCOC(=O)/C=C/C(=O)OC.CNC(=O)OCCOC(=O)/C=C/C(=O)OC.COC(=O)/C=C/C(=O)OCCOC(=O)N(C)C.COC(=O)/C=C/C(=O)OCCOC(=O)N1CCCCC1.COC(=O)/C=C/C(=O)OCCOC(=O)N1CCCCC1.COC(=O)/C=C/C(=O)OCCOC(=O)NC(C)(C)C.COC(=O)/C=C/C(=O)OCCOC(=O)NC(C)C.COC(=O)/C=C/C(=O)OCCOC(=O)NC1CCCCC1.COC(=O)/C=C/C(=O)OCCOC(=O)NCC1CCCCC1.

What is the InChIKey of 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate?

The InChIKey is GGZUEQFPSDUOTE-GQCQVHIRSA-N. The full InChI is InChI=1S/C15H23NO6.C14H21NO6.2C13H19NO6.2C12H19NO6.C11H17NO6.2C10H15NO6.C9H13NO6/c1-20-13(17)7-8-14(18)21-9-10-22-15(19)16-11-12-5-3-2-4-6-12;1-19-12(16)7-8-13(17)20-9-10-21-14(18)15-11-5-3-2-4-6-11;2*1-18-11(15)5-6-12(16)19-9-10-20-13(17)14-7-3-2-4-8-14;1-12(2,3)13-11(16)19-8-7-18-10(15)6-5-9(14)17-4;1-4-13(5-2)12(16)19-9-8-18-11(15)7-6-10(14)17-3;1-8(2)12-11(15)18-7-6-17-10(14)5-4-9(13)16-3;1-11(2)10(14)17-7-6-16-9(13)5-4-8(12)15-3;1-3-11-10(14)17-7-6-16-9(13)5-4-8(12)15-2;1-10-9(13)16-6-5-15-8(12)4-3-7(11)14-2/h7-8,12H,2-6,9-11H2,1H3,(H,16,19);7-8,11H,2-6,9-10H2,1H3,(H,15,18);2*5-6H,2-4,7-10H2,1H3;5-6H,7-8H2,1-4H3,(H,13,16);6-7H,4-5,8-9H2,1-3H3;4-5,8H,6-7H2,1-3H3,(H,12,15);4-5H,6-7H2,1-3H3;4-5H,3,6-7H2,1-2H3,(H,11,14);3-4H,5-6H2,1-2H3,(H,10,13)/b2*8-7+;3*6-5+;7-6+;3*5-4+;4-3+.

What are the key properties of 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate?

4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate has a molecular weight of 2710.76 g/mol, XLogP of 6.14, 57 rotatable bonds, 6 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 4-O-[2-(tert-butylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(cyclohexylmethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(diethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(dimethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;4-O-[2-(ethylcarbamoyloxy)ethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[2-(methylcarbamoyloxy)ethyl] (E)-but-2-enedioate;bis(1-O-methyl 4-O-[2-(piperidine-1-carbonyloxy)ethyl] (E)-but-2-enedioate);1-O-methyl 4-O-[2-(propan-2-ylcarbamoyloxy)ethyl] (E)-but-2-enedioate is sourced from PubChem (CID 158253567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).