2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate

C58H97N5O6 — CID 91607785

IUPAC2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate
SMILESCCCCCCCCOC1C(C)(C)CN(C(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C.Cc1cc(C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C44H84N2O5.C14H13N3O/c1-11-13-15-17-23-27-31-49-40-41(3,4)35-45(36-42(40,5)6)38(47)29-25-21-19-20-22-26-30-39(48)51-37-33-43(7,8)46(44(9,10)34-37)50-32-28-24-18-16-14-12-2;1-9-7-10(2)14(18)13(8-9)17-15-11-5-3-4-6-12(11)16-17/h37,40H,11-36H2,1-10H3;3-8,18H,1-2H3
InChIKeyXAUFKEXXQMPRGI-UHFFFAOYSA-N
MW960.44 g/mol
LogP14.35
Rot. Bonds27

About 2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate

2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate (PubChem CID 91607785) has the molecular formula C58H97N5O6 and a molecular weight of 960.44 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate
PubChem CID91607785
Molecular FormulaC58H97N5O6
Molecular Weight960.44 g/mol
Exact Mass959.74
IUPAC Name2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate
SMILESCCCCCCCCOC1C(C)(C)CN(C(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C.Cc1cc(C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C44H84N2O5.C14H13N3O/c1-11-13-15-17-23-27-31-49-40-41(3,4)35-45(36-42(40,5)6)38(47)29-25-21-19-20-22-26-30-39(48)51-37-33-43(7,8)46(44(9,10)34-37)50-32-28-24-18-16-14-12-2;1-9-7-10(2)14(18)13(8-9)17-15-11-5-3-4-6-12(11)16-17/h37,40H,11-36H2,1-10H3;3-8,18H,1-2H3
InChIKeyXAUFKEXXQMPRGI-UHFFFAOYSA-N
XLogP14.35
TPSA119.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.44
LogP ≤ 514.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate with MolForge

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Related Compounds

2-(benzotriazol-2-yl)-4,6-dimethylphenol;1-benzyl-5-methylimidazolidine-2,4-dione;2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate
CID 91575904
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) benzene-1,2-dicarboxylate
CID 151973385
(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 2-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenoxy]acetate
CID 141264130
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
2-(benzotriazol-2-yl)-4,6-dimethylphenol
CID 90698610
bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane
CID 159751289
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
bis(2,2,6,6-tetrakis-decyl-1-octoxypiperidin-4-yl) decanedioate
CID 150064003
10-O-(2,2,6,6-tetramethyl-1-octa-1,3,5,7-tetraynoxypiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
CID 22969584
2-(benzotriazol-2-yl)-4-methylphenol;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate;1-O-(3,3,5,5-tetramethylcyclohexyl) 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;1-O-(3,3,5,5-tetramethylcyclohexyl) 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 160641601
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
CID 67968303

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate?
The IUPAC name of 2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate (CID 91607785) is 2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate is CCCCCCCCOC1C(C)(C)CN(C(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C.Cc1cc(C)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate?
The InChIKey is XAUFKEXXQMPRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H84N2O5.C14H13N3O/c1-11-13-15-17-23-27-31-49-40-41(3,4)35-45(36-42(40,5)6)38(47)29-25-21-19-20-22-26-30-39(48)51-37-33-43(7,8)46(44(9,10)34-37)50-32-28-24-18-16-14-12-2;1-9-7-10(2)14(18)13(8-9)17-15-11-5-3-4-6-12(11)16-17/h37,40H,11-36H2,1-10H3;3-8,18H,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate?
2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate has a molecular weight of 960.44 g/mol, XLogP of 14.35, 27 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4,6-dimethylphenol;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxo-10-(3,3,5,5-tetramethyl-4-octoxypiperidin-1-yl)decanoate is sourced from PubChem (CID 91607785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).