3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate

C66H128N2O21Si6 — CID 157237790

About 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate

3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate (PubChem CID 157237790) has the molecular formula C66H128N2O21Si6 and a molecular weight of 1454.26 g/mol. Its IUPAC name is 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate.

Molecular Properties

• Compound Name: 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate
• PubChem CID: 157237790
• Molecular Formula: C66H128N2O21Si6
• Molecular Weight: 1454.26 g/mol
• Exact Mass: 1452.76
• IUPAC Name: 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate
• SMILES: C=CC(=O)OCCOC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCC(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COC(=O)NC2CC(C)(C)CC(C)(CCC(=O)OCCCOC(=O)OCCCOC(=O)OCCCOC)C2)C1
• InChI: InChI=1S/C66H128N2O21Si6/c1-23-55(69)78-39-40-79-57(71)43-53-44-62(2,3)49-65(7,45-53)50-67-58(72)84-51-66(30-24-41-94(21,86-90(9,10)11)87-91(12,13)14,31-25-42-95(22,88-92(15,16)17)89-93(18,19)20)52-85-59(73)68-54-46-63(4,5)48-64(6,47-54)32-29-56(70)77-34-27-36-81-61(75)83-38-28-37-82-60(74)80-35-26-33-76-8/h23,53-54H,1,24-52H2,2-22H3,(H,67,72)(H,68,73)
• InChIKey: YEKUQGOCFORNJN-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 272.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 44
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1454.26
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate?

The IUPAC name of 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate (CID 157237790) is 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate.

What is the SMILES notation for 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate?

The canonical SMILES for 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate is C=CC(=O)OCCOC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCC(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COC(=O)NC2CC(C)(C)CC(C)(CCC(=O)OCCCOC(=O)OCCCOC(=O)OCCCOC)C2)C1.

What is the InChIKey of 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate?

The InChIKey is YEKUQGOCFORNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H128N2O21Si6/c1-23-55(69)78-39-40-79-57(71)43-53-44-62(2,3)49-65(7,45-53)50-67-58(72)84-51-66(30-24-41-94(21,86-90(9,10)11)87-91(12,13)14,31-25-42-95(22,88-92(15,16)17)89-93(18,19)20)52-85-59(73)68-54-46-63(4,5)48-64(6,47-54)32-29-56(70)77-34-27-36-81-61(75)83-38-28-37-82-60(74)80-35-26-33-76-8/h23,53-54H,1,24-52H2,2-22H3,(H,67,72)(H,68,73).

What are the key properties of 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate?

3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate has a molecular weight of 1454.26 g/mol, XLogP of 15.06, 44 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(3-methoxypropoxycarbonyloxy)propoxycarbonyloxy]propyl 3-[1,3,3-trimethyl-5-[[5-[methyl-bis(trimethylsilyloxy)silyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2-[[1,3,3-trimethyl-5-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]cyclohexyl]methylcarbamoyloxymethyl]pentoxy]carbonylamino]cyclohexyl]propanoate is sourced from PubChem (CID 157237790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).