10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid

C27H51NO4 — CID 150087158

IUPAC10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
SMILESCCCCCCCCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)O)CC1(C)C
InChIInChI=1S/C27H51NO4/c1-6-7-8-9-14-17-20-28-26(2,3)21-23(22-27(28,4)5)32-25(31)19-16-13-11-10-12-15-18-24(29)30/h23H,6-22H2,1-5H3,(H,29,30)
InChIKeyDSLWAORZDFZIHV-UHFFFAOYSA-N
MW453.71 g/mol
LogP7.12
Rot. Bonds17

About 10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid

10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid (PubChem CID 150087158) has the molecular formula C27H51NO4 and a molecular weight of 453.71 g/mol. Its IUPAC name is 10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid.

Molecular Properties

Compound Name10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
PubChem CID150087158
Molecular FormulaC27H51NO4
Molecular Weight453.71 g/mol
Exact Mass453.38
IUPAC Name10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
SMILESCCCCCCCCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)O)CC1(C)C
InChIInChI=1S/C27H51NO4/c1-6-7-8-9-14-17-20-28-26(2,3)21-23(22-27(28,4)5)32-25(31)19-16-13-11-10-12-15-18-24(29)30/h23H,6-22H2,1-5H3,(H,29,30)
InChIKeyDSLWAORZDFZIHV-UHFFFAOYSA-N
XLogP7.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.71
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid
CID 67533775
CID 101128218
CID 101128218
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
CID 163756463
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512159
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
CID 67968303

Frequently Asked Questions

What is the IUPAC name of 10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid?
The IUPAC name of 10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid (CID 150087158) is 10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid.
What is the SMILES notation for 10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid?
The canonical SMILES for 10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid is CCCCCCCCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)O)CC1(C)C.
What is the InChIKey of 10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid?
The InChIKey is DSLWAORZDFZIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51NO4/c1-6-7-8-9-14-17-20-28-26(2,3)21-23(22-27(28,4)5)32-25(31)19-16-13-11-10-12-15-18-24(29)30/h23H,6-22H2,1-5H3,(H,29,30).
What are the key properties of 10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid?
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid has a molecular weight of 453.71 g/mol, XLogP of 7.12, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid is sourced from PubChem (CID 150087158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).