bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate

C40H68N2O7 — CID 14512551

IUPACbis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
SMILESCCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C40H68N2O7/c1-16-17-18-40(32(44)48-27-22-36(8,9)41(46)37(10,11)23-27,33(45)49-28-24-38(12,13)42(47)39(14,15)25-28)21-26-19-29(34(2,3)4)31(43)30(20-26)35(5,6)7/h19-20,27-28,43,46-47H,16-18,21-25H2,1-15H3
InChIKeyCGXQLYWEHYEIAP-UHFFFAOYSA-N
MW688.99 g/mol
LogP8.61
Rot. Bonds9

About bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate (PubChem CID 14512551) has the molecular formula C40H68N2O7 and a molecular weight of 688.99 g/mol. Its IUPAC name is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate.

Molecular Properties

Compound Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
PubChem CID14512551
Molecular FormulaC40H68N2O7
Molecular Weight688.99 g/mol
Exact Mass688.50
IUPAC Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
SMILESCCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C40H68N2O7/c1-16-17-18-40(32(44)48-27-22-36(8,9)41(46)37(10,11)23-27,33(45)49-28-24-38(12,13)42(47)39(14,15)25-28)21-26-19-29(34(2,3)4)31(43)30(20-26)35(5,6)7/h19-20,27-28,43,46-47H,16-18,21-25H2,1-15H3
InChIKeyCGXQLYWEHYEIAP-UHFFFAOYSA-N
XLogP8.61
TPSA119.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.99
LogP ≤ 58.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate (CID 14512551) is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate.
What is the SMILES notation for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The canonical SMILES for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate is CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(O)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-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The InChIKey is CGXQLYWEHYEIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H68N2O7/c1-16-17-18-40(32(44)48-27-22-36(8,9)41(46)37(10,11)23-27,33(45)49-28-24-38(12,13)42(47)39(14,15)25-28)21-26-19-29(34(2,3)4)31(43)30(20-26)35(5,6)7/h19-20,27-28,43,46-47H,16-18,21-25H2,1-15H3.
What are the key properties of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate has a molecular weight of 688.99 g/mol, XLogP of 8.61, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate is sourced from PubChem (CID 14512551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).