bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate

C36H58N2O5 — CID 58003310

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate
SMILESC=CCC(Cc1cc(C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C36H58N2O5/c1-14-15-36(18-24-16-23(2)28(39)27(17-24)31(3,4)5,29(40)42-25-19-32(6,7)37-33(8,9)20-25)30(41)43-26-21-34(10,11)38-35(12,13)22-26/h14,16-17,25-26,37-39H,1,15,18-22H2,2-13H3
InChIKeyKMEPBEJIQGQXHO-UHFFFAOYSA-N
MW598.87 g/mol
LogP6.81
Rot. Bonds8

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate (PubChem CID 58003310) has the molecular formula C36H58N2O5 and a molecular weight of 598.87 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate
PubChem CID58003310
Molecular FormulaC36H58N2O5
Molecular Weight598.87 g/mol
Exact Mass598.43
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate
SMILESC=CCC(Cc1cc(C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C36H58N2O5/c1-14-15-36(18-24-16-23(2)28(39)27(17-24)31(3,4)5,29(40)42-25-19-32(6,7)37-33(8,9)20-25)30(41)43-26-21-34(10,11)38-35(12,13)22-26/h14,16-17,25-26,37-39H,1,15,18-22H2,2-13H3
InChIKeyKMEPBEJIQGQXHO-UHFFFAOYSA-N
XLogP6.81
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.87
LogP ≤ 56.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate (CID 58003310) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate is C=CCC(Cc1cc(C)c(O)c(C(C)(C)C)c1)(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-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate?
The InChIKey is KMEPBEJIQGQXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H58N2O5/c1-14-15-36(18-24-16-23(2)28(39)27(17-24)31(3,4)5,29(40)42-25-19-32(6,7)37-33(8,9)20-25)30(41)43-26-21-34(10,11)38-35(12,13)22-26/h14,16-17,25-26,37-39H,1,15,18-22H2,2-13H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate has a molecular weight of 598.87 g/mol, XLogP of 6.81, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-prop-2-enylpropanedioate is sourced from PubChem (CID 58003310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).