2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol

C40H62O2 — CID 19003383

IUPAC2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol
SMILESCC(C)(C)c1cc(CCCCCCCCc2cc(C3CCCCC3)c(O)c(C(C)(C)C)c2)cc(C2CCCCC2)c1O
InChIInChI=1S/C40H62O2/c1-39(2,3)35-27-29(25-33(37(35)41)31-21-15-11-16-22-31)19-13-9-7-8-10-14-20-30-26-34(32-23-17-12-18-24-32)38(42)36(28-30)40(4,5)6/h25-28,31-32,41-42H,7-24H2,1-6H3
InChIKeyWMABOQNSZWFVTI-UHFFFAOYSA-N
MW574.93 g/mol
LogP11.91
Rot. Bonds11

About 2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol

2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol (PubChem CID 19003383) has the molecular formula C40H62O2 and a molecular weight of 574.93 g/mol. Its IUPAC name is 2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol
PubChem CID19003383
Molecular FormulaC40H62O2
Molecular Weight574.93 g/mol
Exact Mass574.47
IUPAC Name2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol
SMILESCC(C)(C)c1cc(CCCCCCCCc2cc(C3CCCCC3)c(O)c(C(C)(C)C)c2)cc(C2CCCCC2)c1O
InChIInChI=1S/C40H62O2/c1-39(2,3)35-27-29(25-33(37(35)41)31-21-15-11-16-22-31)19-13-9-7-8-10-14-20-30-26-34(32-23-17-12-18-24-32)38(42)36(28-30)40(4,5)6/h25-28,31-32,41-42H,7-24H2,1-6H3
InChIKeyWMABOQNSZWFVTI-UHFFFAOYSA-N
XLogP11.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.93
LogP ≤ 511.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol with MolForge

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Related Compounds

2-cyclohexyl-4-decyl-6-methylphenol
CID 174344111
3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid
CID 21199340
3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid
CID 3022312
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409
2-cyclohexyl-4-[4-(3-cyclohexyl-4-hydroxyphenyl)butyl]phenol
CID 23127930
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
4-butyl-2,6-ditert-butylphenol
CID 158079570
2-tert-butyl-6-[[2-[[3-tert-butyl-2-hydroxy-5-(4-hydroxybutyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(4-hydroxybutyl)phenol
CID 137213676
3-(3,5-ditert-butyl-4-cyclobutylphenyl)propanal;2,6-ditert-butyl-4-[8-(methylamino)octyl]phenol;ethane;nitroxyl
CID 142370660
3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide
CID 154419209
2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
CID 3430761
2,6-ditert-butyl-4-(3-butylheptyl)phenol;2,6-ditert-butyl-4-[8-(3,5-ditert-butyl-4-hydroxyphenyl)octyl]phenol
CID 160518697

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol?
The IUPAC name of 2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol (CID 19003383) is 2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol.
What is the SMILES notation for 2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol?
The canonical SMILES for 2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol is CC(C)(C)c1cc(CCCCCCCCc2cc(C3CCCCC3)c(O)c(C(C)(C)C)c2)cc(C2CCCCC2)c1O.
What is the InChIKey of 2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol?
The InChIKey is WMABOQNSZWFVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H62O2/c1-39(2,3)35-27-29(25-33(37(35)41)31-21-15-11-16-22-31)19-13-9-7-8-10-14-20-30-26-34(32-23-17-12-18-24-32)38(42)36(28-30)40(4,5)6/h25-28,31-32,41-42H,7-24H2,1-6H3.
What are the key properties of 2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol?
2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol has a molecular weight of 574.93 g/mol, XLogP of 11.91, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol is sourced from PubChem (CID 19003383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).