bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate

C41H70N2O5 — CID 91136357

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate
SMILESCCCCC(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C41H70N2O5/c1-18-19-20-41(33(45)47-28-23-37(8,9)42(16)38(10,11)24-28,34(46)48-29-25-39(12,13)43(17)40(14,15)26-29)27-21-30(35(2,3)4)32(44)31(22-27)36(5,6)7/h21-22,28-29,44H,18-20,23-26H2,1-17H3
InChIKeyJEZSLMLJEKGOJL-UHFFFAOYSA-N
MW671.02 g/mol
LogP8.80
Rot. Bonds8

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate (PubChem CID 91136357) has the molecular formula C41H70N2O5 and a molecular weight of 671.02 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate
PubChem CID91136357
Molecular FormulaC41H70N2O5
Molecular Weight671.02 g/mol
Exact Mass670.53
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate
SMILESCCCCC(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C41H70N2O5/c1-18-19-20-41(33(45)47-28-23-37(8,9)42(16)38(10,11)24-28,34(46)48-29-25-39(12,13)43(17)40(14,15)26-29)27-21-30(35(2,3)4)32(44)31(22-27)36(5,6)7/h21-22,28-29,44H,18-20,23-26H2,1-17H3
InChIKeyJEZSLMLJEKGOJL-UHFFFAOYSA-N
XLogP8.80
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.02
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate (CID 91136357) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate is CCCCC(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate?
The InChIKey is JEZSLMLJEKGOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H70N2O5/c1-18-19-20-41(33(45)47-28-23-37(8,9)42(16)38(10,11)24-28,34(46)48-29-25-39(12,13)43(17)40(14,15)26-29)27-21-30(35(2,3)4)32(44)31(22-27)36(5,6)7/h21-22,28-29,44H,18-20,23-26H2,1-17H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate has a molecular weight of 671.02 g/mol, XLogP of 8.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanedioate is sourced from PubChem (CID 91136357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).