10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid

C28H52N2O6 — CID 70489036

IUPAC10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid
SMILESCC1(C)CC(ON2C(C)(C)CC(O)CC2(C)C)CC(C)(C)N1OC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C28H52N2O6/c1-25(2)17-21(31)18-26(3,4)29(25)35-22-19-27(5,6)30(28(7,8)20-22)36-24(34)16-14-12-10-9-11-13-15-23(32)33/h21-22,31H,9-20H2,1-8H3,(H,32,33)
InChIKeyFFERZPLLLULFFB-UHFFFAOYSA-N
MW512.73 g/mol
LogP5.62
Rot. Bonds12

About 10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid

10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid (PubChem CID 70489036) has the molecular formula C28H52N2O6 and a molecular weight of 512.73 g/mol. Its IUPAC name is 10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid.

Molecular Properties

Compound Name10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid
PubChem CID70489036
Molecular FormulaC28H52N2O6
Molecular Weight512.73 g/mol
Exact Mass512.38
IUPAC Name10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid
SMILESCC1(C)CC(ON2C(C)(C)CC(O)CC2(C)C)CC(C)(C)N1OC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C28H52N2O6/c1-25(2)17-21(31)18-26(3,4)29(25)35-22-19-27(5,6)30(28(7,8)20-22)36-24(34)16-14-12-10-9-11-13-15-23(32)33/h21-22,31H,9-20H2,1-8H3,(H,32,33)
InChIKeyFFERZPLLLULFFB-UHFFFAOYSA-N
XLogP5.62
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.73
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate
CID 20792531
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid
CID 59891522
2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 50943130
CID 101128218
CID 101128218
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol
CID 174733730
CID 102188245
CID 102188245

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid?
The IUPAC name of 10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid (CID 70489036) is 10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid.
What is the SMILES notation for 10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid?
The canonical SMILES for 10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid is CC1(C)CC(ON2C(C)(C)CC(O)CC2(C)C)CC(C)(C)N1OC(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid?
The InChIKey is FFERZPLLLULFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O6/c1-25(2)17-21(31)18-26(3,4)29(25)35-22-19-27(5,6)30(28(7,8)20-22)36-24(34)16-14-12-10-9-11-13-15-23(32)33/h21-22,31H,9-20H2,1-8H3,(H,32,33).
What are the key properties of 10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid?
10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid has a molecular weight of 512.73 g/mol, XLogP of 5.62, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid is sourced from PubChem (CID 70489036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).