1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene

C29H42 — CID 140618544

IUPAC1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene
SMILESCC1CC(C)(C)CC(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C29H42/c1-21-18-28(8,9)20-29(19-21,24-14-10-22(11-15-24)26(2,3)4)25-16-12-23(13-17-25)27(5,6)7/h10-17,21H,18-20H2,1-9H3
InChIKeyGRKLZFGYRABZOR-UHFFFAOYSA-N
MW390.66 g/mol
LogP8.41
Rot. Bonds2

About 1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene

1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene (PubChem CID 140618544) has the molecular formula C29H42 and a molecular weight of 390.66 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene
PubChem CID140618544
Molecular FormulaC29H42
Molecular Weight390.66 g/mol
Exact Mass390.33
IUPAC Name1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene
SMILESCC1CC(C)(C)CC(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C29H42/c1-21-18-28(8,9)20-29(19-21,24-14-10-22(11-15-24)26(2,3)4)25-16-12-23(13-17-25)27(5,6)7/h10-17,21H,18-20H2,1-9H3
InChIKeyGRKLZFGYRABZOR-UHFFFAOYSA-N
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 173358944
carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
CID 170852882
4-[1-(4-carbonochloridoylphenyl)-3,3,5-trimethylcyclohexyl]benzoyl chloride
CID 14833076
benzene;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] acetate;bis(propan-2-one)
CID 159006703
benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 158985546
3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene
CID 142418474
benzene;benzylbenzene;1,1'-biphenyl;ethane;methane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 157060518
[4-[3,3,5-trimethyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexyl]phenyl] 2,2-dimethylpropanoate
CID 144930959
1-[(4-tert-butylphenyl)methyl]-3,3,5-trimethylcyclohexan-1-amine
CID 63407683
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol;4-[1-(4-hydroxy-3-propan-2-ylphenyl)-3,3,5-trimethylcyclohexyl]-2-propan-2-ylphenol
CID 87965555
1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene
CID 161095354
1-methoxy-4-[3,3,5-trimethyl-1-[4-[(1S)-2-methyl-1-phenyl-1-[4-[3,3,5-trimethyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexyl]phenoxy]propan-2-yl]oxyphenyl]cyclohexyl]benzene
CID 142994261

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene?
The IUPAC name of 1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene (CID 140618544) is 1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene is CC1CC(C)(C)CC(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene?
The InChIKey is GRKLZFGYRABZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42/c1-21-18-28(8,9)20-29(19-21,24-14-10-22(11-15-24)26(2,3)4)25-16-12-23(13-17-25)27(5,6)7/h10-17,21H,18-20H2,1-9H3.
What are the key properties of 1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene?
1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene has a molecular weight of 390.66 g/mol, XLogP of 8.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene is sourced from PubChem (CID 140618544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).