10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid

C28H52N2O4 — CID 57050083

IUPAC10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid
SMILESCC1(C)CC(OC(=O)C(CCCCCCCC(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C28H52N2O4/c1-25(2)16-20(17-26(3,4)29-25)22(14-12-10-9-11-13-15-23(31)32)24(33)34-21-18-27(5,6)30-28(7,8)19-21/h20-22,29-30H,9-19H2,1-8H3,(H,31,32)
InChIKeyRZWGOUKOTWCKLU-UHFFFAOYSA-N
MW480.73 g/mol
LogP5.83
Rot. Bonds11

About 10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid

10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid (PubChem CID 57050083) has the molecular formula C28H52N2O4 and a molecular weight of 480.73 g/mol. Its IUPAC name is 10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid.

Molecular Properties

Compound Name10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid
PubChem CID57050083
Molecular FormulaC28H52N2O4
Molecular Weight480.73 g/mol
Exact Mass480.39
IUPAC Name10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid
SMILESCC1(C)CC(OC(=O)C(CCCCCCCC(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C28H52N2O4/c1-25(2)16-20(17-26(3,4)29-25)22(14-12-10-9-11-13-15-23(31)32)24(33)34-21-18-27(5,6)30-28(7,8)19-21/h20-22,29-30H,9-19H2,1-8H3,(H,31,32)
InChIKeyRZWGOUKOTWCKLU-UHFFFAOYSA-N
XLogP5.83
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid?
The IUPAC name of 10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid (CID 57050083) is 10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid.
What is the SMILES notation for 10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid?
The canonical SMILES for 10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid is CC1(C)CC(OC(=O)C(CCCCCCCC(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid?
The InChIKey is RZWGOUKOTWCKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4/c1-25(2)16-20(17-26(3,4)29-25)22(14-12-10-9-11-13-15-23(31)32)24(33)34-21-18-27(5,6)30-28(7,8)19-21/h20-22,29-30H,9-19H2,1-8H3,(H,31,32).
What are the key properties of 10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid?
10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid has a molecular weight of 480.73 g/mol, XLogP of 5.83, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-9-(2,2,6,6-tetramethylpiperidin-4-yl)-10-(2,2,6,6-tetramethylpiperidin-4-yl)oxydecanoic acid is sourced from PubChem (CID 57050083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).