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

C51H82N2O6 — CID 6453377

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(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)(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/C51H82N2O6/c1-43(2,3)35-21-31(22-36(39(35)54)44(4,5)6)25-51(41(56)58-33-27-47(13,14)52-48(15,16)28-33,42(57)59-34-29-49(17,18)53-50(19,20)30-34)26-32-23-37(45(7,8)9)40(55)38(24-32)46(10,11)12/h21-24,33-34,52-55H,25-30H2,1-20H3
InChIKeyUPVKSNXKHZOFBC-UHFFFAOYSA-N
MW819.22 g/mol
LogP10.76
Rot. Bonds8

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

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate (PubChem CID 6453377) has the molecular formula C51H82N2O6 and a molecular weight of 819.22 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
PubChem CID6453377
Molecular FormulaC51H82N2O6
Molecular Weight819.22 g/mol
Exact Mass818.62
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(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)(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/C51H82N2O6/c1-43(2,3)35-21-31(22-36(39(35)54)44(4,5)6)25-51(41(56)58-33-27-47(13,14)52-48(15,16)28-33,42(57)59-34-29-49(17,18)53-50(19,20)30-34)26-32-23-37(45(7,8)9)40(55)38(24-32)46(10,11)12/h21-24,33-34,52-55H,25-30H2,1-20H3
InChIKeyUPVKSNXKHZOFBC-UHFFFAOYSA-N
XLogP10.76
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.22
LogP ≤ 510.76
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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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate (CID 6453377) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(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)(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) 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The InChIKey is UPVKSNXKHZOFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H82N2O6/c1-43(2,3)35-21-31(22-36(39(35)54)44(4,5)6)25-51(41(56)58-33-27-47(13,14)52-48(15,16)28-33,42(57)59-34-29-49(17,18)53-50(19,20)30-34)26-32-23-37(45(7,8)9)40(55)38(24-32)46(10,11)12/h21-24,33-34,52-55H,25-30H2,1-20H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate has a molecular weight of 819.22 g/mol, XLogP of 10.76, 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[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate is sourced from PubChem (CID 6453377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).