[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate

C45H71NO6 — CID 54209408

IUPAC[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate
SMILESCCC(=O)OC(COC(=O)C(C)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CC(C)(C)NC(C)(C)C1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C45H71NO6/c1-19-35(47)52-34(27-20-30(39(2,3)4)36(48)31(21-27)40(5,6)7)26-51-38(50)45(18,29-24-43(14,15)46-44(16,17)25-29)28-22-32(41(8,9)10)37(49)33(23-28)42(11,12)13/h20-23,29,34,46,48-49H,19,24-26H2,1-18H3
InChIKeyPUWKHLBONQCUMV-UHFFFAOYSA-N
MW722.06 g/mol
LogP10.34
Rot. Bonds8

About [2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate

[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate (PubChem CID 54209408) has the molecular formula C45H71NO6 and a molecular weight of 722.06 g/mol. Its IUPAC name is [2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Name[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate
PubChem CID54209408
Molecular FormulaC45H71NO6
Molecular Weight722.06 g/mol
Exact Mass721.53
IUPAC Name[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate
SMILESCCC(=O)OC(COC(=O)C(C)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CC(C)(C)NC(C)(C)C1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C45H71NO6/c1-19-35(47)52-34(27-20-30(39(2,3)4)36(48)31(21-27)40(5,6)7)26-51-38(50)45(18,29-24-43(14,15)46-44(16,17)25-29)28-22-32(41(8,9)10)37(49)33(23-28)42(11,12)13/h20-23,29,34,46,48-49H,19,24-26H2,1-18H3
InChIKeyPUWKHLBONQCUMV-UHFFFAOYSA-N
XLogP10.34
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.06
LogP ≤ 510.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate?
The IUPAC name of [2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate (CID 54209408) is [2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate.
What is the SMILES notation for [2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate?
The canonical SMILES for [2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate is CCC(=O)OC(COC(=O)C(C)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CC(C)(C)NC(C)(C)C1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of [2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate?
The InChIKey is PUWKHLBONQCUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H71NO6/c1-19-35(47)52-34(27-20-30(39(2,3)4)36(48)31(21-27)40(5,6)7)26-51-38(50)45(18,29-24-43(14,15)46-44(16,17)25-29)28-22-32(41(8,9)10)37(49)33(23-28)42(11,12)13/h20-23,29,34,46,48-49H,19,24-26H2,1-18H3.
What are the key properties of [2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate?
[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate has a molecular weight of 722.06 g/mol, XLogP of 10.34, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propanoyloxyethyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)propanoate is sourced from PubChem (CID 54209408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).