bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate

C91H158N6O17 — CID 135275067

IUPACbis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate
SMILESCCCCC(CCCc1cc(CCCC(CCCC)(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)ccc1CCCC(CCCC)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C91H158N6O17/c1-29-32-43-89(71(98)110-66-52-79(8,9)93(104)80(10,11)53-66,72(99)111-67-54-81(12,13)94(105)82(14,15)55-67)46-35-38-62-41-42-63(39-36-47-90(44-33-30-2,74(101)112-68-56-83(16,17)95(106)84(18,19)57-68)75(102)113-69-58-85(20,21)96(107)86(22,23)59-69)64(49-62)40-37-48-91(45-34-31-3,73(100)109-65-50-77(4,5)92(28)78(6,7)51-65)76(103)114-70-60-87(24,25)97(108)88(26,27)61-70/h41-42,49,65-70,104-108H,29-40,43-48,50-61H2,1-28H3
InChIKeyYZNATKWYLPUKJG-UHFFFAOYSA-N
MW1608.29 g/mol
LogP18.15
Rot. Bonds33

About bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate (PubChem CID 135275067) has the molecular formula C91H158N6O17 and a molecular weight of 1608.29 g/mol. Its IUPAC name is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate.

Molecular Properties

Compound Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate
PubChem CID135275067
Molecular FormulaC91H158N6O17
Molecular Weight1608.29 g/mol
Exact Mass1607.17
IUPAC Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate
SMILESCCCCC(CCCc1cc(CCCC(CCCC)(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)ccc1CCCC(CCCC)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C91H158N6O17/c1-29-32-43-89(71(98)110-66-52-79(8,9)93(104)80(10,11)53-66,72(99)111-67-54-81(12,13)94(105)82(14,15)55-67)46-35-38-62-41-42-63(39-36-47-90(44-33-30-2,74(101)112-68-56-83(16,17)95(106)84(18,19)57-68)75(102)113-69-58-85(20,21)96(107)86(22,23)59-69)64(49-62)40-37-48-91(45-34-31-3,73(100)109-65-50-77(4,5)92(28)78(6,7)51-65)76(103)114-70-60-87(24,25)97(108)88(26,27)61-70/h41-42,49,65-70,104-108H,29-40,43-48,50-61H2,1-28H3
InChIKeyYZNATKWYLPUKJG-UHFFFAOYSA-N
XLogP18.15
TPSA278.39 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001608.29
LogP ≤ 518.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate with MolForge

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Related Compounds

CID 170936784
CID 170936784
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octoxy]-4-oxobutanoyl]oxypropyl]-2-butylpropanedioate;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate;(2,2,6,6-tetramethylpiperidin-4-yl) 5-[3,4-bis[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate
CID 160616728
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-2-methylhexanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 176948895
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
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140
CID 140891553
CID 140891553
1-O,3-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) benzene-1,3,5-tricarboxylate
CID 122697085
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[hydroperoxy-(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoate
CID 59882771
bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl] 2-[3-[4-[3-[1-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-2-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-3-oxocyclopropyl]propyl]-3-[4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]-3-methyl-4-oxobutyl]phenyl]propyl]-2-methylpropanedioate
CID 135281013
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate
CID 176897785
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
[4-[3-[2-ethyl-4-[3-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)oxypropyl]phenyl]propoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 147650056

Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate?
The IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate (CID 135275067) is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate.
What is the SMILES notation for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate?
The canonical SMILES for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate is CCCCC(CCCc1cc(CCCC(CCCC)(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)ccc1CCCC(CCCC)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate?
The InChIKey is YZNATKWYLPUKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H158N6O17/c1-29-32-43-89(71(98)110-66-52-79(8,9)93(104)80(10,11)53-66,72(99)111-67-54-81(12,13)94(105)82(14,15)55-67)46-35-38-62-41-42-63(39-36-47-90(44-33-30-2,74(101)112-68-56-83(16,17)95(106)84(18,19)57-68)75(102)113-69-58-85(20,21)96(107)86(22,23)59-69)64(49-62)40-37-48-91(45-34-31-3,73(100)109-65-50-77(4,5)92(28)78(6,7)51-65)76(103)114-70-60-87(24,25)97(108)88(26,27)61-70/h41-42,49,65-70,104-108H,29-40,43-48,50-61H2,1-28H3.
What are the key properties of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate?
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate has a molecular weight of 1608.29 g/mol, XLogP of 18.15, 33 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octyl]-3-[4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxycarbonyloctyl]phenyl]propyl]-2-butylpropanedioate is sourced from PubChem (CID 135275067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).