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

C39H60O6 — CID 139762151

IUPAC2-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
SMILESCCc1cc(CC(C)(C)C2OCC3(CO2)COC(C(C)(C)Cc2cc(CC)c(O)c(C(C)(C)C)c2)OC3)cc(C(C)(C)C)c1O
InChIInChI=1S/C39H60O6/c1-13-27-15-25(17-29(31(27)40)35(3,4)5)19-37(9,10)33-42-21-39(22-43-33)23-44-34(45-24-39)38(11,12)20-26-16-28(14-2)32(41)30(18-26)36(6,7)8/h15-18,33-34,40-41H,13-14,19-24H2,1-12H3
InChIKeyRQYPMNVAUAQEHY-UHFFFAOYSA-N
MW624.90 g/mol
LogP8.39
Rot. Bonds8

About 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

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 (PubChem CID 139762151) has the molecular formula C39H60O6 and a molecular weight of 624.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID139762151
Molecular FormulaC39H60O6
Molecular Weight624.90 g/mol
Exact Mass624.44
IUPAC Name2-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
SMILESCCc1cc(CC(C)(C)C2OCC3(CO2)COC(C(C)(C)Cc2cc(CC)c(O)c(C(C)(C)C)c2)OC3)cc(C(C)(C)C)c1O
InChIInChI=1S/C39H60O6/c1-13-27-15-25(17-29(31(27)40)35(3,4)5)19-37(9,10)33-42-21-39(22-43-33)23-44-34(45-24-39)38(11,12)20-26-16-28(14-2)32(41)30(18-26)36(6,7)8/h15-18,33-34,40-41H,13-14,19-24H2,1-12H3
InChIKeyRQYPMNVAUAQEHY-UHFFFAOYSA-N
XLogP8.39
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 ≤ 58.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-[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
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
(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-[3-[1-[3-(2-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(2-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 70223273
[2-[3-[1-[3-(3,5-dibenzyl-4-hydroxyphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(3,5-dibenzyl-4-hydroxyphenyl)propanoate
CID 139677363
[2-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 22950620
2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol
CID 117441120
[2-[3-[1-[3-(3-tert-butyl-5-methyl-4-prop-2-enoyloxyphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 59595674
[2-[3-[1-[3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]propanoate
CID 139646376
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(CC(C)(C)C2OCC3(CO2)COC(C(C)(C)Cc2cc(CC)c(O)c(C(C)(C)C)c2)OC3)cc(C(C)(C)C)c1O.
What is the InChIKey of 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?
The InChIKey is RQYPMNVAUAQEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H60O6/c1-13-27-15-25(17-29(31(27)40)35(3,4)5)19-37(9,10)33-42-21-39(22-43-33)23-44-34(45-24-39)38(11,12)20-26-16-28(14-2)32(41)30(18-26)36(6,7)8/h15-18,33-34,40-41H,13-14,19-24H2,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 624.90 g/mol, XLogP of 8.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139762151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).