2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol

C61H92O4 — CID 141133723

IUPAC2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol
SMILESCC(C)(C)c1cc(C(C)(CC(C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C61H92O4/c1-52(2,3)40-27-36(28-41(48(40)62)53(4,5)6)60(25,37-29-42(54(7,8)9)49(63)43(30-37)55(10,11)12)35-61(26,38-31-44(56(13,14)15)50(64)45(32-38)57(16,17)18)39-33-46(58(19,20)21)51(65)47(34-39)59(22,23)24/h27-34,62-65H,35H2,1-26H3
InChIKeyIIUMRCHSHJIUOF-UHFFFAOYSA-N
MW889.40 g/mol
LogP16.59
Rot. Bonds6

About 2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol

2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol (PubChem CID 141133723) has the molecular formula C61H92O4 and a molecular weight of 889.40 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol
PubChem CID141133723
Molecular FormulaC61H92O4
Molecular Weight889.40 g/mol
Exact Mass888.70
IUPAC Name2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol
SMILESCC(C)(C)c1cc(C(C)(CC(C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C61H92O4/c1-52(2,3)40-27-36(28-41(48(40)62)53(4,5)6)60(25,37-29-42(54(7,8)9)49(63)43(30-37)55(10,11)12)35-61(26,38-31-44(56(13,14)15)50(64)45(32-38)57(16,17)18)39-33-46(58(19,20)21)51(65)47(34-39)59(22,23)24/h27-34,62-65H,35H2,1-26H3
InChIKeyIIUMRCHSHJIUOF-UHFFFAOYSA-N
XLogP16.59
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.40
LogP ≤ 516.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)heptan-2-yl]phenol
CID 139825010
CID 135046337
CID 135046337
bis(2,6-ditert-butylbenzene-1,4-diol);ethane-1,2-diol
CID 172795780
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
4-[2-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-2-methylpropyl]-2,6-ditert-butylphenol
CID 174550214
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)heptan-3-yl]phenol
CID 139825092
2-tert-butyl-4-[2-[3-tert-butyl-4-hydroxy-5-(hydroxymethyl)phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 10811012

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol (CID 141133723) is 2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol is CC(C)(C)c1cc(C(C)(CC(C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol?
The InChIKey is IIUMRCHSHJIUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H92O4/c1-52(2,3)40-27-36(28-41(48(40)62)53(4,5)6)60(25,37-29-42(54(7,8)9)49(63)43(30-37)55(10,11)12)35-61(26,38-31-44(56(13,14)15)50(64)45(32-38)57(16,17)18)39-33-46(58(19,20)21)51(65)47(34-39)59(22,23)24/h27-34,62-65H,35H2,1-26H3.
What are the key properties of 2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol?
2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol has a molecular weight of 889.40 g/mol, XLogP of 16.59, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol is sourced from PubChem (CID 141133723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).