(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate

C44H84N2O6 — CID 59518528

About (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate

(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate (PubChem CID 59518528) has the molecular formula C44H84N2O6 and a molecular weight of 737.16 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate.

Molecular Properties

• Compound Name: (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate
• PubChem CID: 59518528
• Molecular Formula: C44H84N2O6
• Molecular Weight: 737.16 g/mol
• Exact Mass: 736.63
• IUPAC Name: (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate
• SMILES: CCCCCCCCON1C(C)(C)CC(OC(=O)CCCCCCCCC2OOC23CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)CC1(C)C
• InChI: InChI=1S/C44H84N2O6/c1-11-13-15-17-23-27-31-48-45-40(3,4)33-37(34-41(45,5)6)50-39(47)30-26-22-20-19-21-25-29-38-44(52-51-38)35-42(7,8)46(43(9,10)36-44)49-32-28-24-18-16-14-12-2/h37-38H,11-36H2,1-10H3
• InChIKey: HGWZTLBTMGHUQZ-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 69.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 26
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.16
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate?

The IUPAC name of (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate (CID 59518528) is (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate.

What is the SMILES notation for (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate?

The canonical SMILES for (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate is CCCCCCCCON1C(C)(C)CC(OC(=O)CCCCCCCCC2OOC23CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)CC1(C)C.

What is the InChIKey of (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate?

The InChIKey is HGWZTLBTMGHUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H84N2O6/c1-11-13-15-17-23-27-31-48-45-40(3,4)33-37(34-41(45,5)6)50-39(47)30-26-22-20-19-21-25-29-38-44(52-51-38)35-42(7,8)46(43(9,10)36-44)49-32-28-24-18-16-14-12-2/h37-38H,11-36H2,1-10H3.

What are the key properties of (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate?

(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate has a molecular weight of 737.16 g/mol, XLogP of 11.98, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate is sourced from PubChem (CID 59518528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).