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

C36H60N2O5 — CID 14093876

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
SMILESCC1(C)CC(OC(=O)C(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C36H60N2O5/c1-31(2,3)26-16-22(17-27(28(26)39)32(4,5)6)15-25(29(40)42-23-18-33(7,8)37-34(9,10)19-23)30(41)43-24-20-35(11,12)38-36(13,14)21-24/h16-17,23-25,37-39H,15,18-21H2,1-14H3
InChIKeyREFOYRYSMHHBCM-UHFFFAOYSA-N
MW600.89 g/mol
LogP6.85
Rot. Bonds6

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 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]propanedioate (PubChem CID 14093876) has the molecular formula C36H60N2O5 and a molecular weight of 600.89 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
PubChem CID14093876
Molecular FormulaC36H60N2O5
Molecular Weight600.89 g/mol
Exact Mass600.45
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
SMILESCC1(C)CC(OC(=O)C(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C36H60N2O5/c1-31(2,3)26-16-22(17-27(28(26)39)32(4,5)6)15-25(29(40)42-23-18-33(7,8)37-34(9,10)19-23)30(41)43-24-20-35(11,12)38-36(13,14)21-24/h16-17,23-25,37-39H,15,18-21H2,1-14H3
InChIKeyREFOYRYSMHHBCM-UHFFFAOYSA-N
XLogP6.85
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.89
LogP ≤ 56.85
H-Bond Donors ≤ 53
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(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate (CID 14093876) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate is CC1(C)CC(OC(=O)C(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The InChIKey is REFOYRYSMHHBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60N2O5/c1-31(2,3)26-16-22(17-27(28(26)39)32(4,5)6)15-25(29(40)42-23-18-33(7,8)37-34(9,10)19-23)30(41)43-24-20-35(11,12)38-36(13,14)21-24/h16-17,23-25,37-39H,15,18-21H2,1-14H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 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]propanedioate has a molecular weight of 600.89 g/mol, XLogP of 6.85, 6 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-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate is sourced from PubChem (CID 14093876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).