2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol

C35H52O6 — CID 139762133

IUPAC2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol
SMILESCC(CCC1OCC2(CO1)COC(CCC(C)c1ccc(O)c(C(C)(C)C)c1)OC2)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C35H52O6/c1-23(25-11-13-29(36)27(17-25)33(3,4)5)9-15-31-38-19-35(20-39-31)21-40-32(41-22-35)16-10-24(2)26-12-14-30(37)28(18-26)34(6,7)8/h11-14,17-18,23-24,31-32,36-37H,9-10,15-16,19-22H2,1-8H3
InChIKeyXZPDQJCITQJRQP-UHFFFAOYSA-N
MW568.80 g/mol
LogP7.89
Rot. Bonds8

About 2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol

2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol (PubChem CID 139762133) has the molecular formula C35H52O6 and a molecular weight of 568.80 g/mol. Its IUPAC name is 2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol
PubChem CID139762133
Molecular FormulaC35H52O6
Molecular Weight568.80 g/mol
Exact Mass568.38
IUPAC Name2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol
SMILESCC(CCC1OCC2(CO1)COC(CCC(C)c1ccc(O)c(C(C)(C)C)c1)OC2)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C35H52O6/c1-23(25-11-13-29(36)27(17-25)33(3,4)5)9-15-31-38-19-35(20-39-31)21-40-32(41-22-35)16-10-24(2)26-12-14-30(37)28(18-26)34(6,7)8/h11-14,17-18,23-24,31-32,36-37H,9-10,15-16,19-22H2,1-8H3
InChIKeyXZPDQJCITQJRQP-UHFFFAOYSA-N
XLogP7.89
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.80
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol with MolForge

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Related Compounds

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
2-tert-butyl-4-propan-2-ylphenol
CID 24240
2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 87504919
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
1-(3-tert-butyl-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872892
2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol
CID 175249442
2-tert-butyl-4-(1-phenylethyl)phenol
CID 23036863
3,5-bis[3-(4-tert-butylphenyl)butyl]-7a-methyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
CID 69229006
3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanal
CID 19734901
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
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 141353760
3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide
CID 54517850

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol?
The IUPAC name of 2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol (CID 139762133) is 2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol.
What is the SMILES notation for 2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol?
The canonical SMILES for 2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol is CC(CCC1OCC2(CO1)COC(CCC(C)c1ccc(O)c(C(C)(C)C)c1)OC2)c1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol?
The InChIKey is XZPDQJCITQJRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52O6/c1-23(25-11-13-29(36)27(17-25)33(3,4)5)9-15-31-38-19-35(20-39-31)21-40-32(41-22-35)16-10-24(2)26-12-14-30(37)28(18-26)34(6,7)8/h11-14,17-18,23-24,31-32,36-37H,9-10,15-16,19-22H2,1-8H3.
What are the key properties of 2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol?
2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol has a molecular weight of 568.80 g/mol, XLogP of 7.89, 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-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol is sourced from PubChem (CID 139762133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).