4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol

C55H92O6 — CID 139762053

IUPAC4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(CCC2OCC3(CO2)COC(CCc2cc(C(C)(C)CC(C)(C)C)c(O)c(C(C)(C)CC(C)(C)C)c2)OC3)cc(C(C)(C)CC(C)(C)C)c1O
InChIInChI=1S/C55H92O6/c1-47(2,3)29-51(13,14)39-25-37(26-40(45(39)56)52(15,16)30-48(4,5)6)21-23-43-58-33-55(34-59-43)35-60-44(61-36-55)24-22-38-27-41(53(17,18)31-49(7,8)9)46(57)42(28-38)54(19,20)32-50(10,11)12/h25-28,43-44,56-57H,21-24,29-36H2,1-20H3
InChIKeyHHOGMTIVBPIBKJ-UHFFFAOYSA-N
MW849.33 g/mol
LogP14.25
Rot. Bonds14

About 4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol

4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 139762053) has the molecular formula C55H92O6 and a molecular weight of 849.33 g/mol. Its IUPAC name is 4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID139762053
Molecular FormulaC55H92O6
Molecular Weight849.33 g/mol
Exact Mass848.69
IUPAC Name4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(CCC2OCC3(CO2)COC(CCc2cc(C(C)(C)CC(C)(C)C)c(O)c(C(C)(C)CC(C)(C)C)c2)OC3)cc(C(C)(C)CC(C)(C)C)c1O
InChIInChI=1S/C55H92O6/c1-47(2,3)29-51(13,14)39-25-37(26-40(45(39)56)52(15,16)30-48(4,5)6)21-23-43-58-33-55(34-59-43)35-60-44(61-36-55)24-22-38-27-41(53(17,18)31-49(7,8)9)46(57)42(28-38)54(19,20)32-50(10,11)12/h25-28,43-44,56-57H,21-24,29-36H2,1-20H3
InChIKeyHHOGMTIVBPIBKJ-UHFFFAOYSA-N
XLogP14.25
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.33
LogP ≤ 514.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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Related Compounds

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
2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol
CID 139762092
4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol
CID 54117859
2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734661
4-[1-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 22769774
4-[(1-hydroxypropylamino)methyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 57001664
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
2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol
CID 121442924
4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734658
2-[2-(3,5-dimethoxyphenyl)ethyl]-1,3-dioxolane
CID 12068613
4-butyl-2,6-ditert-butylphenol
CID 158079570

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol (CID 139762053) is 4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(CCC2OCC3(CO2)COC(CCc2cc(C(C)(C)CC(C)(C)C)c(O)c(C(C)(C)CC(C)(C)C)c2)OC3)cc(C(C)(C)CC(C)(C)C)c1O.
What is the InChIKey of 4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is HHOGMTIVBPIBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H92O6/c1-47(2,3)29-51(13,14)39-25-37(26-40(45(39)56)52(15,16)30-48(4,5)6)21-23-43-58-33-55(34-59-43)35-60-44(61-36-55)24-22-38-27-41(53(17,18)31-49(7,8)9)46(57)42(28-38)54(19,20)32-50(10,11)12/h25-28,43-44,56-57H,21-24,29-36H2,1-20H3.
What are the key properties of 4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol?
4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 849.33 g/mol, XLogP of 14.25, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 139762053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).