2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol

C39H60O6 — CID 123214263

IUPAC2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol
SMILESCCC1COC(c2cc(C(C)(C)C)c(O)c(C(C)(C)CCC(C)(C)c3cc(C4OCC(C)CO4)cc(C(C)(C)C)c3O)c2)OC1
InChIInChI=1S/C39H60O6/c1-13-25-22-44-35(45-23-25)27-17-29(37(6,7)8)33(41)31(19-27)39(11,12)15-14-38(9,10)30-18-26(34-42-20-24(2)21-43-34)16-28(32(30)40)36(3,4)5/h16-19,24-25,34-35,40-41H,13-15,20-23H2,1-12H3
InChIKeyJYHWJTLOWNEYEM-UHFFFAOYSA-N
MW624.90 g/mol
LogP9.48
Rot. Bonds8

About 2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol

2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol (PubChem CID 123214263) has the molecular formula C39H60O6 and a molecular weight of 624.90 g/mol. Its IUPAC name is 2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol
PubChem CID123214263
Molecular FormulaC39H60O6
Molecular Weight624.90 g/mol
Exact Mass624.44
IUPAC Name2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol
SMILESCCC1COC(c2cc(C(C)(C)C)c(O)c(C(C)(C)CCC(C)(C)c3cc(C4OCC(C)CO4)cc(C(C)(C)C)c3O)c2)OC1
InChIInChI=1S/C39H60O6/c1-13-25-22-44-35(45-23-25)27-17-29(37(6,7)8)33(41)31(19-27)39(11,12)15-14-38(9,10)30-18-26(34-42-20-24(2)21-43-34)16-28(32(30)40)36(3,4)5/h16-19,24-25,34-35,40-41H,13-15,20-23H2,1-12H3
InChIKeyJYHWJTLOWNEYEM-UHFFFAOYSA-N
XLogP9.48
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.90
LogP ≤ 59.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol with MolForge

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Related Compounds

2,6-ditert-butyl-4-[5-(cyclopropylmethyl)-1,3-dioxan-2-yl]phenol
CID 171758185
4-[5-(1-aminopropyl)oxan-2-yl]-2,6-ditert-butylphenol
CID 130317136
2-tert-butyl-4-[2-[3-[2-[3-tert-butyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-6-(2-methylbutan-2-yl)phenol
CID 139762573
CID 164702720
CID 164702720
3-tert-butyl-4-hydroxy-5-(2-methylheptan-2-yl)benzoic acid
CID 54423476
2-tert-butyl-4-[2-[3-tert-butyl-4-hydroxy-5-(4-hydroxy-2-methylbutan-2-yl)phenyl]sulfanylpropan-2-ylsulfanyl]-6-(4-hydroxy-2-methylbutan-2-yl)phenol
CID 139386541
methyl 3-tert-butyl-5-[5-(3-tert-butyl-2-hydroxy-5-methoxycarbonylphenyl)-2,5-dimethylhexan-2-yl]-4-hydroxybenzoate
CID 146363427
4-[(2S)-azetidin-2-yl]-2,6-ditert-butylphenol
CID 171196611
methyl 5-(3,5-ditert-butyl-2-hydroxyphenyl)-5-methylhexanoate
CID 19865079
2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxyphenyl)-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]phenol
CID 139646322
4-[2-[3-(4-amino-2-methylbutan-2-yl)-5-tert-butyl-4-hydroxyphenyl]sulfanylpropan-2-ylsulfanyl]-2,6-ditert-butylphenol
CID 139369401
4-[6-[4-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]-9-thiabicyclo[3.3.1]nonan-2-yl]-2,6-bis(2-methylheptan-2-yl)phenol
CID 21488253

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol?
The IUPAC name of 2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol (CID 123214263) is 2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol.
What is the SMILES notation for 2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol?
The canonical SMILES for 2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol is CCC1COC(c2cc(C(C)(C)C)c(O)c(C(C)(C)CCC(C)(C)c3cc(C4OCC(C)CO4)cc(C(C)(C)C)c3O)c2)OC1.
What is the InChIKey of 2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol?
The InChIKey is JYHWJTLOWNEYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H60O6/c1-13-25-22-44-35(45-23-25)27-17-29(37(6,7)8)33(41)31(19-27)39(11,12)15-14-38(9,10)30-18-26(34-42-20-24(2)21-43-34)16-28(32(30)40)36(3,4)5/h16-19,24-25,34-35,40-41H,13-15,20-23H2,1-12H3.
What are the key properties of 2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol?
2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol has a molecular weight of 624.90 g/mol, XLogP of 9.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[5-[3-tert-butyl-5-(5-ethyl-1,3-dioxan-2-yl)-2-hydroxyphenyl]-2,5-dimethylhexan-2-yl]-4-(5-methyl-1,3-dioxan-2-yl)phenol is sourced from PubChem (CID 123214263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).