10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate

C37H70N2O5 — CID 90713929

About 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate

10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate (PubChem CID 90713929) has the molecular formula C37H70N2O5 and a molecular weight of 622.98 g/mol. Its IUPAC name is 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate.

Molecular Properties

• Compound Name: 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate
• PubChem CID: 90713929
• Molecular Formula: C37H70N2O5
• Molecular Weight: 622.98 g/mol
• Exact Mass: 622.53
• IUPAC Name: 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate
• SMILES: CCCCCCCCON1C(C)(C)CCC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C1(C)C
• InChI: InChI=1S/C37H70N2O5/c1-11-12-13-14-19-22-27-42-39-34(2,3)26-25-31(37(39,8)9)44-33(41)24-21-18-16-15-17-20-23-32(40)43-30-28-35(4,5)38(10)36(6,7)29-30/h30-31H,11-29H2,1-10H3
• InChIKey: BCQFMWRUBKJYMO-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 68.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.98
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate?

The IUPAC name of 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate (CID 90713929) is 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate.

What is the SMILES notation for 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate?

The canonical SMILES for 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate is CCCCCCCCON1C(C)(C)CCC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C1(C)C.

What is the InChIKey of 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate?

The InChIKey is BCQFMWRUBKJYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H70N2O5/c1-11-12-13-14-19-22-27-42-39-34(2,3)26-25-31(37(39,8)9)44-33(41)24-21-18-16-15-17-20-23-32(40)43-30-28-35(4,5)38(10)36(6,7)29-30/h30-31H,11-29H2,1-10H3.

What are the key properties of 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate?

10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate has a molecular weight of 622.98 g/mol, XLogP of 9.16, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate is sourced from PubChem (CID 90713929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).