bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate

C47H87N3O8 — CID 91484074

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate (PubChem CID 91484074) has the molecular formula C47H87N3O8 and a molecular weight of 822.23 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate.

Molecular Properties

• Compound Name: bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
• PubChem CID: 91484074
• Molecular Formula: C47H87N3O8
• Molecular Weight: 822.23 g/mol
• Exact Mass: 821.65
• IUPAC Name: bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
• SMILES: CN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1
• InChI: InChI=1S/C30H56N2O4.C17H31NO4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24;1-13(19)7-8-15(20)22-10-9-18-16(2,3)11-14(21-6)12-17(18,4)5/h23-24H,11-22H2,1-10H3;14H,7-12H2,1-6H3
• InChIKey: TZRQDFFFPWSJBO-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 114.92 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	822.23
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate?

The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate (CID 91484074) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate.

What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate?

The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate is CN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1.

What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate?

The InChIKey is TZRQDFFFPWSJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2O4.C17H31NO4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24;1-13(19)7-8-15(20)22-10-9-18-16(2,3)11-14(21-6)12-17(18,4)5/h23-24H,11-22H2,1-10H3;14H,7-12H2,1-6H3.

What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate?

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate has a molecular weight of 822.23 g/mol, XLogP of 9.06, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate is sourced from PubChem (CID 91484074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).