2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol

C43H68O6 — CID 139762124

IUPAC2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol
SMILESCCC(C)c1cc(CC(C)(C)C2OCC3(CO2)COC(C(C)(C)Cc2cc(C(C)CC)c(O)c(C(C)(C)C)c2)OC3)cc(C(C)(C)C)c1O
InChIInChI=1S/C43H68O6/c1-15-27(3)31-17-29(19-33(35(31)44)39(5,6)7)21-41(11,12)37-46-23-43(24-47-37)25-48-38(49-26-43)42(13,14)22-30-18-32(28(4)16-2)36(45)34(20-30)40(8,9)10/h17-20,27-28,37-38,44-45H,15-16,21-26H2,1-14H3
InChIKeyAERPZSKOXASXKD-UHFFFAOYSA-N
MW681.01 g/mol
LogP10.29
Rot. Bonds10

About 2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol

2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol (PubChem CID 139762124) has the molecular formula C43H68O6 and a molecular weight of 681.01 g/mol. Its IUPAC name is 2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol.

Molecular Properties

Compound Name2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol
PubChem CID139762124
Molecular FormulaC43H68O6
Molecular Weight681.01 g/mol
Exact Mass680.50
IUPAC Name2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol
SMILESCCC(C)c1cc(CC(C)(C)C2OCC3(CO2)COC(C(C)(C)Cc2cc(C(C)CC)c(O)c(C(C)(C)C)c2)OC3)cc(C(C)(C)C)c1O
InChIInChI=1S/C43H68O6/c1-15-27(3)31-17-29(19-33(35(31)44)39(5,6)7)21-41(11,12)37-46-23-43(24-47-37)25-48-38(49-26-43)42(13,14)22-30-18-32(28(4)16-2)36(45)34(20-30)40(8,9)10/h17-20,27-28,37-38,44-45H,15-16,21-26H2,1-14H3
InChIKeyAERPZSKOXASXKD-UHFFFAOYSA-N
XLogP10.29
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.01
LogP ≤ 510.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-4-[2-[3-[1-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-ethylphenol
CID 139762151
4-[[3,5-bis[(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-butan-2-yl-6-tert-butylphenol
CID 139646427
5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol
CID 139762112
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
[2-[3-[1-[3-[3-tert-butyl-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[3-tert-butyl-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate
CID 139646374
(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl 4-[3-[1-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-4-methylpentanoate
CID 20612928
2-butan-2-yl-5-tert-butyl-4-chlorophenol
CID 118092252
2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol
CID 159566936
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol;cumene;[2-[3-[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phenol
CID 159689646
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol;cumene;[2-[3-[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;toluene
CID 160942096
(3,3-dihydroxy-2,2-dimethylpropyl) 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;[2-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 161471446
2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol
CID 90297655

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol?
The IUPAC name of 2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol (CID 139762124) is 2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol.
What is the SMILES notation for 2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol?
The canonical SMILES for 2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol is CCC(C)c1cc(CC(C)(C)C2OCC3(CO2)COC(C(C)(C)Cc2cc(C(C)CC)c(O)c(C(C)(C)C)c2)OC3)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol?
The InChIKey is AERPZSKOXASXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H68O6/c1-15-27(3)31-17-29(19-33(35(31)44)39(5,6)7)21-41(11,12)37-46-23-43(24-47-37)25-48-38(49-26-43)42(13,14)22-30-18-32(28(4)16-2)36(45)34(20-30)40(8,9)10/h17-20,27-28,37-38,44-45H,15-16,21-26H2,1-14H3.
What are the key properties of 2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol?
2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol has a molecular weight of 681.01 g/mol, XLogP of 10.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol is sourced from PubChem (CID 139762124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).