2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione

C62H94MnO6S4 — CID 158987182

IUPAC2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione
SMILESCC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CC1(C)SC2(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C2(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)S1.O=[Mn]=O
InChIInChI=1S/C31H46O2S2.C31H48O2S2.Mn.2O/c1-25(2,3)19-15-30(16-20(23(19)32)26(4,5)6)31(35-29(13,14)34-30)17-21(27(7,8)9)24(33)22(18-31)28(10,11)12;1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12;;;/h15-18H,1-14H3;15-18,32-33H,1-14H3;;;
InChIKeyKLHXUQMPQCYDJC-UHFFFAOYSA-N
MW1118.63 g/mol
LogP18.40
Rot. Bonds4

About 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione

2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione (PubChem CID 158987182) has the molecular formula C62H94MnO6S4 and a molecular weight of 1118.63 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione
PubChem CID158987182
Molecular FormulaC62H94MnO6S4
Molecular Weight1118.63 g/mol
Exact Mass1117.53
IUPAC Name2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione
SMILESCC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CC1(C)SC2(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C2(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)S1.O=[Mn]=O
InChIInChI=1S/C31H46O2S2.C31H48O2S2.Mn.2O/c1-25(2,3)19-15-30(16-20(23(19)32)26(4,5)6)31(35-29(13,14)34-30)17-21(27(7,8)9)24(33)22(18-31)28(10,11)12;1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12;;;/h15-18H,1-14H3;15-18,32-33H,1-14H3;;;
InChIKeyKLHXUQMPQCYDJC-UHFFFAOYSA-N
XLogP18.40
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.63
LogP ≤ 518.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione with MolForge

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Related Compounds

CID 101108698
CID 101108698
2,6-ditert-butyl-4,4-bis(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexa-2,5-dien-1-one
CID 15269405
2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2-methylpropanoic acid
CID 21449471
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
4-[2-[3-(4-amino-2-methylbutan-2-yl)-5-tert-butyl-4-hydroxyphenyl]sulfanylpropan-2-ylsulfanyl]-2,6-ditert-butylphenol
CID 139369401
4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl]phosphanylsulfanyl-2,6-ditert-butylphenol
CID 88686574
3-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]propanoic acid
CID 11273322
2-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenyl]-2-propylpropanedioic acid
CID 139905936
3-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-2-methyl-3-oxopropanoic acid
CID 89228524
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)hexasulfanyl]phenol
CID 15852116
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)pentasulfanyl]phenol
CID 11114490
2,6-ditert-butyl-4-(2-hydroxy-3,5-dimethylphenyl)-4-methylcyclohexa-2,5-dien-1-one
CID 14892297

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione?
The IUPAC name of 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione (CID 158987182) is 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione?
The canonical SMILES for 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione is CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CC1(C)SC2(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C2(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)S1.O=[Mn]=O.
What is the InChIKey of 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione?
The InChIKey is KLHXUQMPQCYDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46O2S2.C31H48O2S2.Mn.2O/c1-25(2,3)19-15-30(16-20(23(19)32)26(4,5)6)31(35-29(13,14)34-30)17-21(27(7,8)9)24(33)22(18-31)28(10,11)12;1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12;;;/h15-18H,1-14H3;15-18,32-33H,1-14H3;;;.
What are the key properties of 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione?
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione has a molecular weight of 1118.63 g/mol, XLogP of 18.40, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;dioxomanganese;2,4,9,11-tetratert-butyl-14,14-dimethyl-13,15-dithiadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10-dione is sourced from PubChem (CID 158987182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).