2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate

C45H71NO6 — CID 175210461

IUPAC2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate
SMILESCC(C)(C)CC(C(=O)OCCN1C(C)(C)CC(OC(=O)C(CC(C)(C)C)c2ccc(O)c(C(C)(C)C)c2)CC1(C)C)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C45H71NO6/c1-40(2,3)27-32(29-17-19-36(47)34(23-29)42(7,8)9)38(49)51-22-21-46-44(13,14)25-31(26-45(46,15)16)52-39(50)33(28-41(4,5)6)30-18-20-37(48)35(24-30)43(10,11)12/h17-20,23-24,31-33,47-48H,21-22,25-28H2,1-16H3
InChIKeySGEBHLQAUPMKMA-UHFFFAOYSA-N
MW722.06 g/mol
LogP10.54
Rot. Bonds10

About 2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate

2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate (PubChem CID 175210461) has the molecular formula C45H71NO6 and a molecular weight of 722.06 g/mol. Its IUPAC name is 2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate.

Molecular Properties

Compound Name2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate
PubChem CID175210461
Molecular FormulaC45H71NO6
Molecular Weight722.06 g/mol
Exact Mass721.53
IUPAC Name2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate
SMILESCC(C)(C)CC(C(=O)OCCN1C(C)(C)CC(OC(=O)C(CC(C)(C)C)c2ccc(O)c(C(C)(C)C)c2)CC1(C)C)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C45H71NO6/c1-40(2,3)27-32(29-17-19-36(47)34(23-29)42(7,8)9)38(49)51-22-21-46-44(13,14)25-31(26-45(46,15)16)52-39(50)33(28-41(4,5)6)30-18-20-37(48)35(24-30)43(10,11)12/h17-20,23-24,31-33,47-48H,21-22,25-28H2,1-16H3
InChIKeySGEBHLQAUPMKMA-UHFFFAOYSA-N
XLogP10.54
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.06
LogP ≤ 510.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate 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 2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate?
The IUPAC name of 2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate (CID 175210461) is 2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate.
What is the SMILES notation for 2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate?
The canonical SMILES for 2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate is CC(C)(C)CC(C(=O)OCCN1C(C)(C)CC(OC(=O)C(CC(C)(C)C)c2ccc(O)c(C(C)(C)C)c2)CC1(C)C)c1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate?
The InChIKey is SGEBHLQAUPMKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H71NO6/c1-40(2,3)27-32(29-17-19-36(47)34(23-29)42(7,8)9)38(49)51-22-21-46-44(13,14)25-31(26-45(46,15)16)52-39(50)33(28-41(4,5)6)30-18-20-37(48)35(24-30)43(10,11)12/h17-20,23-24,31-33,47-48H,21-22,25-28H2,1-16H3.
What are the key properties of 2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate?
2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate has a molecular weight of 722.06 g/mol, XLogP of 10.54, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]ethyl 2-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate is sourced from PubChem (CID 175210461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).