[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium

C30H57N2O4+ — CID 153184887

IUPAC[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium
SMILES[H]/[O+]=C(\CCCCCCCC(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C30H56N2O4/c1-10-22(26(34)36-24-20-29(6,7)32-30(8,9)21-24)16-14-12-11-13-15-17-25(33)35-23-18-27(2,3)31-28(4,5)19-23/h22-24,31-32H,10-21H2,1-9H3/p+1
InChIKeyWGWRYIATJOHOTJ-UHFFFAOYSA-O
MW509.80 g/mol
LogP6.42
Rot. Bonds12

About [1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium

[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium (PubChem CID 153184887) has the molecular formula C30H57N2O4+ and a molecular weight of 509.80 g/mol. Its IUPAC name is [1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium.

Molecular Properties

Compound Name[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium
PubChem CID153184887
Molecular FormulaC30H57N2O4+
Molecular Weight509.80 g/mol
Exact Mass509.43
IUPAC Name[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium
SMILES[H]/[O+]=C(\CCCCCCCC(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C30H56N2O4/c1-10-22(26(34)36-24-20-29(6,7)32-30(8,9)21-24)16-14-12-11-13-15-17-25(33)35-23-18-27(2,3)31-28(4,5)19-23/h22-24,31-32H,10-21H2,1-9H3/p+1
InChIKeyWGWRYIATJOHOTJ-UHFFFAOYSA-O
XLogP6.42
TPSA80.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.80
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium?
The IUPAC name of [1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium (CID 153184887) is [1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium.
What is the SMILES notation for [1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium?
The canonical SMILES for [1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium is [H]/[O+]=C(\CCCCCCCC(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of [1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium?
The InChIKey is WGWRYIATJOHOTJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H56N2O4/c1-10-22(26(34)36-24-20-29(6,7)32-30(8,9)21-24)16-14-12-11-13-15-17-25(33)35-23-18-27(2,3)31-28(4,5)19-23/h22-24,31-32H,10-21H2,1-9H3/p+1.
What are the key properties of [1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium?
[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium has a molecular weight of 509.80 g/mol, XLogP of 6.42, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium is sourced from PubChem (CID 153184887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).