tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate

C68H128N4O15 — CID 146265209

IUPACtris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate
SMILESCCCCC(CCCCCCC(CCCC)(C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1)(COCCCOC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C68H128N4O15/c1-19-21-31-67(51-80-35-27-36-81-52-43-59(3,4)69(76)60(5,6)44-52,56(73)85-40-28-37-82-53-45-61(7,8)70(77)62(9,10)46-53)32-25-23-24-26-34-68(33-22-20-2,57(74)86-41-29-38-83-54-47-63(11,12)71(78)64(13,14)48-54)58(75)87-42-30-39-84-55-49-65(15,16)72(79)66(17,18)50-55/h52-55,76-79H,19-51H2,1-18H3
InChIKeyZMLPBZXBGQMWKY-UHFFFAOYSA-N
MW1241.78 g/mol
LogP13.60
Rot. Bonds38

About tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate

tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate (PubChem CID 146265209) has the molecular formula C68H128N4O15 and a molecular weight of 1241.78 g/mol. Its IUPAC name is tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate.

Molecular Properties

Compound Nametris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate
PubChem CID146265209
Molecular FormulaC68H128N4O15
Molecular Weight1241.78 g/mol
Exact Mass1240.94
IUPAC Nametris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate
SMILESCCCCC(CCCCCCC(CCCC)(C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1)(COCCCOC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C68H128N4O15/c1-19-21-31-67(51-80-35-27-36-81-52-43-59(3,4)69(76)60(5,6)44-52,56(73)85-40-28-37-82-53-45-61(7,8)70(77)62(9,10)46-53)32-25-23-24-26-34-68(33-22-20-2,57(74)86-41-29-38-83-54-47-63(11,12)71(78)64(13,14)48-54)58(75)87-42-30-39-84-55-49-65(15,16)72(79)66(17,18)50-55/h52-55,76-79H,19-51H2,1-18H3
InChIKeyZMLPBZXBGQMWKY-UHFFFAOYSA-N
XLogP13.60
TPSA218.93 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds38
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001241.78
LogP ≤ 513.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate with MolForge

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Related Compounds

tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-methylhexadecane-4,4,11-tricarboxylate
CID 139514330
[4-[3-[2-butyl-2-[3-(1-hydroxy-1,2,2,6,6-pentamethylpiperidin-1-ium-4-yl)oxypropoxycarbonyl]-9,9-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]tridecanoyl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 163597426
CID 140891553
CID 140891553
1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octoxy]-4-oxobutanoyl]oxypropyl]-2-butylpropanedioate
CID 135266139
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[3-[4,4-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]octyl]-5-[4-[3-[2-[ethyl(hydroxy)amino]-2-methylheptan-4-yl]oxypropoxycarbonyl]-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]octyl]phenyl]propyl]-2-butylpropanedioate
CID 135266076
1-O-[3-[4-methyl-4-(methylamino)pentan-2-yl]oxypropyl] 3-O-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-butyl-2-(3-iodopropyl)propanedioate
CID 153368732
1-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2,6,6-tetramethylpiperidine
CID 160526152
octyl 2,2-dioctyldecanoate
CID 90110447
hexyl 2,2-dihexyloctanoate
CID 90110386
tridecyl 2,2-di(tridecyl)hexadecanoate
CID 175533725
bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate
CID 101102682

Frequently Asked Questions

What is the IUPAC name of tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate?
The IUPAC name of tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate (CID 146265209) is tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate.
What is the SMILES notation for tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate?
The canonical SMILES for tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate is CCCCC(CCCCCCC(CCCC)(C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1)(COCCCOC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OCCCOC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate?
The InChIKey is ZMLPBZXBGQMWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H128N4O15/c1-19-21-31-67(51-80-35-27-36-81-52-43-59(3,4)69(76)60(5,6)44-52,56(73)85-40-28-37-82-53-45-61(7,8)70(77)62(9,10)46-53)32-25-23-24-26-34-68(33-22-20-2,57(74)86-41-29-38-83-54-47-63(11,12)71(78)64(13,14)48-54)58(75)87-42-30-39-84-55-49-65(15,16)72(79)66(17,18)50-55/h52-55,76-79H,19-51H2,1-18H3.
What are the key properties of tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate?
tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate has a molecular weight of 1241.78 g/mol, XLogP of 13.60, 38 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tris[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 12-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxymethyl]hexadecane-4,4,11-tricarboxylate is sourced from PubChem (CID 146265209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).