4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate

C64H84N2O13 — CID 58030547

IUPAC4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate
SMILESCN1C(C)(C)CC(OC(=O)CCC(=O)Oc2cc(OC(=O)CCC(=O)OC3CC(C)(C)N(C)C(C)(C)C3)cc(C(=O)Oc3ccc(-c4ccc(OC(=O)CCc5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)cc3)c2)CC1(C)C
InChIInChI=1S/C64H84N2O13/c1-59(2,3)50-31-40(32-51(57(50)72)60(4,5)6)17-26-52(67)74-44-22-18-41(19-23-44)42-20-24-45(25-21-42)79-58(73)43-33-46(75-53(68)27-29-55(70)77-48-36-61(7,8)65(15)62(9,10)37-48)35-47(34-43)76-54(69)28-30-56(71)78-49-38-63(11,12)66(16)64(13,14)39-49/h18-25,31-35,48-49,72H,17,26-30,36-39H2,1-16H3
InChIKeyYOJSZNUSESLOHL-UHFFFAOYSA-N
MW1089.38 g/mol
LogP12.17
Rot. Bonds17

About 4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate

4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate (PubChem CID 58030547) has the molecular formula C64H84N2O13 and a molecular weight of 1089.38 g/mol. Its IUPAC name is 4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate.

Molecular Properties

Compound Name4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate
PubChem CID58030547
Molecular FormulaC64H84N2O13
Molecular Weight1089.38 g/mol
Exact Mass1088.60
IUPAC Name4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate
SMILESCN1C(C)(C)CC(OC(=O)CCC(=O)Oc2cc(OC(=O)CCC(=O)OC3CC(C)(C)N(C)C(C)(C)C3)cc(C(=O)Oc3ccc(-c4ccc(OC(=O)CCc5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)cc3)c2)CC1(C)C
InChIInChI=1S/C64H84N2O13/c1-59(2,3)50-31-40(32-51(57(50)72)60(4,5)6)17-26-52(67)74-44-22-18-41(19-23-44)42-20-24-45(25-21-42)79-58(73)43-33-46(75-53(68)27-29-55(70)77-48-36-61(7,8)65(15)62(9,10)37-48)35-47(34-43)76-54(69)28-30-56(71)78-49-38-63(11,12)66(16)64(13,14)39-49/h18-25,31-35,48-49,72H,17,26-30,36-39H2,1-16H3
InChIKeyYOJSZNUSESLOHL-UHFFFAOYSA-N
XLogP12.17
TPSA184.51 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.38
LogP ≤ 512.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate with MolForge

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Related Compounds

[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 19044858
[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 57029713
2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt
CID 87664267
phenyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 139663069
[4-(2,5-dioxopyrrol-1-yl)phenyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 101066239
[4-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]phenyl] 4-prop-2-enoyloxybenzoate
CID 59595664
(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate
CID 143162480
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 91448406
(2,3,4,5,6-pentahydroxycyclohexyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 155475940
[1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 150922217
1-O-[5-(3,5-ditert-butyl-4-hydroxyphenyl)pentyl] 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)propanedioate
CID 87403894
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate
CID 176897785

Frequently Asked Questions

What is the IUPAC name of 4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate?
The IUPAC name of 4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate (CID 58030547) is 4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate.
What is the SMILES notation for 4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate?
The canonical SMILES for 4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate is CN1C(C)(C)CC(OC(=O)CCC(=O)Oc2cc(OC(=O)CCC(=O)OC3CC(C)(C)N(C)C(C)(C)C3)cc(C(=O)Oc3ccc(-c4ccc(OC(=O)CCc5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)cc3)c2)CC1(C)C.
What is the InChIKey of 4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate?
The InChIKey is YOJSZNUSESLOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H84N2O13/c1-59(2,3)50-31-40(32-51(57(50)72)60(4,5)6)17-26-52(67)74-44-22-18-41(19-23-44)42-20-24-45(25-21-42)79-58(73)43-33-46(75-53(68)27-29-55(70)77-48-36-61(7,8)65(15)62(9,10)37-48)35-47(34-43)76-54(69)28-30-56(71)78-49-38-63(11,12)66(16)64(13,14)39-49/h18-25,31-35,48-49,72H,17,26-30,36-39H2,1-16H3.
What are the key properties of 4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate?
4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate has a molecular weight of 1089.38 g/mol, XLogP of 12.17, 17 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate is sourced from PubChem (CID 58030547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).