bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate

C98H170N6O23 — CID 135281013

About bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate

bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate (PubChem CID 135281013) has the molecular formula C98H170N6O23 and a molecular weight of 1800.46 g/mol. Its IUPAC name is bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate.

Molecular Properties

• Compound Name: bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate
• PubChem CID: 135281013
• Molecular Formula: C98H170N6O23
• Molecular Weight: 1800.46 g/mol
• Exact Mass: 1799.23
• IUPAC Name: bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate
• SMILES: CC(CCCc1ccc(CCCC2(C(=O)OCCCOC3CC(C)(C)N(O)C(C)(C)C3)C(=O)C2CCCOC2CC(C)(C)N(O)C(C)(C)C2)c(CCC(C)(C(=O)OCCCOC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OCCCOC2CC(C)(C)N(O)C(C)(C)C2)c1)(C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1
• InChI: InChI=1S/C98H170N6O23/c1-84(2)56-71(57-85(3,4)99(84)111)117-44-29-37-77-78(105)98(77,83(110)127-54-34-49-122-76-66-94(21,22)104(116)95(23,24)67-76)42-28-36-69-39-38-68(35-27-41-96(25,79(106)123-50-30-45-118-72-58-86(5,6)100(112)87(7,8)59-72)80(107)124-51-31-46-119-73-60-88(9,10)101(113)89(11,12)61-73)55-70(69)40-43-97(26,81(108)125-52-32-47-120-74-62-90(13,14)102(114)91(15,16)63-74)82(109)126-53-33-48-121-75-64-92(17,18)103(115)93(19,20)65-75/h38-39,55,71-77,111-116H,27-37,40-54,56-67H2,1-26H3
• InChIKey: SAXNQMLVRKSUSA-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 344.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 46
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.46
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate?

The IUPAC name of bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate (CID 135281013) is bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate.

What is the SMILES notation for bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate?

The canonical SMILES for bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate is CC(CCCc1ccc(CCCC2(C(=O)OCCCOC3CC(C)(C)N(O)C(C)(C)C3)C(=O)C2CCCOC2CC(C)(C)N(O)C(C)(C)C2)c(CCC(C)(C(=O)OCCCOC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OCCCOC2CC(C)(C)N(O)C(C)(C)C2)c1)(C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1.

What is the InChIKey of bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate?

The InChIKey is SAXNQMLVRKSUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H170N6O23/c1-84(2)56-71(57-85(3,4)99(84)111)117-44-29-37-77-78(105)98(77,83(110)127-54-34-49-122-76-66-94(21,22)104(116)95(23,24)67-76)42-28-36-69-39-38-68(35-27-41-96(25,79(106)123-50-30-45-118-72-58-86(5,6)100(112)87(7,8)59-72)80(107)124-51-31-46-119-73-60-88(9,10)101(113)89(11,12)61-73)55-70(69)40-43-97(26,81(108)125-52-32-47-120-74-62-90(13,14)102(114)91(15,16)63-74)82(109)126-53-33-48-121-75-64-92(17,18)103(115)93(19,20)65-75/h38-39,55,71-77,111-116H,27-37,40-54,56-67H2,1-26H3.

What are the key properties of bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate?

bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate has a molecular weight of 1800.46 g/mol, XLogP of 16.47, 46 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate is sourced from PubChem (CID 135281013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).