bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate

C47H74N2O6 — CID 23342538

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate
SMILESCc1cc(C(C)(C)C)c(O)c(C)c1CC(Cc1c(C)cc(C(C)(C)C)c(O)c1C)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C47H74N2O6/c1-27-19-35(41(5,6)7)37(50)29(3)33(27)25-47(39(52)54-31-21-43(11,12)48-44(13,14)22-31,40(53)55-32-23-45(15,16)49-46(17,18)24-32)26-34-28(2)20-36(42(8,9)10)38(51)30(34)4/h19-20,31-32,48-51H,21-26H2,1-18H3
InChIKeyHWUHPAFORPMXLH-UHFFFAOYSA-N
MW763.12 g/mol
LogP9.40
Rot. Bonds8

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate (PubChem CID 23342538) has the molecular formula C47H74N2O6 and a molecular weight of 763.12 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate
PubChem CID23342538
Molecular FormulaC47H74N2O6
Molecular Weight763.12 g/mol
Exact Mass762.55
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate
SMILESCc1cc(C(C)(C)C)c(O)c(C)c1CC(Cc1c(C)cc(C(C)(C)C)c(O)c1C)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C47H74N2O6/c1-27-19-35(41(5,6)7)37(50)29(3)33(27)25-47(39(52)54-31-21-43(11,12)48-44(13,14)22-31,40(53)55-32-23-45(15,16)49-46(17,18)24-32)26-34-28(2)20-36(42(8,9)10)38(51)30(34)4/h19-20,31-32,48-51H,21-26H2,1-18H3
InChIKeyHWUHPAFORPMXLH-UHFFFAOYSA-N
XLogP9.40
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.12
LogP ≤ 59.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate
CID 58003310
1-O-[4-methyl-4-(propan-2-ylamino)pentan-2-yl] 1-O,2-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]ethane-1,1,2-tricarboxylate
CID 89244874
(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl 2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetate
CID 140981053
bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 21324544
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
CID 139985901
(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl prop-2-enoate
CID 87674827
2-tert-butyl-6-methyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenol
CID 21421710
(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl dodecanoate
CID 86734281
bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-dodecylpropanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-ethylpropanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-ethylpropanedioate
CID 159207220
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-octylpropanedioate;tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]ethane-1,1,2-tricarboxylate
CID 158624098
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,4-diethyl-2,4-dimethylpentanedioate
CID 145333560

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate (CID 23342538) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate is Cc1cc(C(C)(C)C)c(O)c(C)c1CC(Cc1c(C)cc(C(C)(C)C)c(O)c1C)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate?
The InChIKey is HWUHPAFORPMXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H74N2O6/c1-27-19-35(41(5,6)7)37(50)29(3)33(27)25-47(39(52)54-31-21-43(11,12)48-44(13,14)22-31,40(53)55-32-23-45(15,16)49-46(17,18)24-32)26-34-28(2)20-36(42(8,9)10)38(51)30(34)4/h19-20,31-32,48-51H,21-26H2,1-18H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate has a molecular weight of 763.12 g/mol, XLogP of 9.40, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]propanedioate is sourced from PubChem (CID 23342538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).