[1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

C47H75NO5 — CID 150922217

IUPAC[1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCCC(CN1C(C)(C)CC(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1(C)C)OC=CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C47H75NO5/c1-18-33(52-23-19-20-31-24-35(42(2,3)4)40(50)36(25-31)43(5,6)7)30-48-46(14,15)28-34(29-47(48,16)17)53-39(49)22-21-32-26-37(44(8,9)10)41(51)38(27-32)45(11,12)13/h19,23-27,33-34,50-51H,18,20-22,28-30H2,1-17H3
InChIKeyLEGPPLSKPOMKNZ-UHFFFAOYSA-N
MW734.12 g/mol
LogP11.34
Rot. Bonds11

About [1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

[1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 150922217) has the molecular formula C47H75NO5 and a molecular weight of 734.12 g/mol. Its IUPAC name is [1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name[1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
PubChem CID150922217
Molecular FormulaC47H75NO5
Molecular Weight734.12 g/mol
Exact Mass733.56
IUPAC Name[1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCCC(CN1C(C)(C)CC(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1(C)C)OC=CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C47H75NO5/c1-18-33(52-23-19-20-31-24-35(42(2,3)4)40(50)36(25-31)43(5,6)7)30-48-46(14,15)28-34(29-47(48,16)17)53-39(49)22-21-32-26-37(44(8,9)10)41(51)38(27-32)45(11,12)13/h19,23-27,33-34,50-51H,18,20-22,28-30H2,1-17H3
InChIKeyLEGPPLSKPOMKNZ-UHFFFAOYSA-N
XLogP11.34
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.12
LogP ≤ 511.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The IUPAC name of [1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (CID 150922217) is [1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
What is the SMILES notation for [1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The canonical SMILES for [1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is CCC(CN1C(C)(C)CC(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1(C)C)OC=CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of [1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The InChIKey is LEGPPLSKPOMKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H75NO5/c1-18-33(52-23-19-20-31-24-35(42(2,3)4)40(50)36(25-31)43(5,6)7)30-48-46(14,15)28-34(29-47(48,16)17)53-39(49)22-21-32-26-37(44(8,9)10)41(51)38(27-32)45(11,12)13/h19,23-27,33-34,50-51H,18,20-22,28-30H2,1-17H3.
What are the key properties of [1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
[1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 734.12 g/mol, XLogP of 11.34, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 150922217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).