1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene

C27H40 — CID 101326735

IUPAC1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene
SMILESCC(C)(C)c1ccc(CCCc2cc(C(C)(C)C)ccc2C(C)(C)C)cc1
InChIInChI=1S/C27H40/c1-25(2,3)22-15-13-20(14-16-22)11-10-12-21-19-23(26(4,5)6)17-18-24(21)27(7,8)9/h13-19H,10-12H2,1-9H3
InChIKeyYTGLTFOOTKFOIS-UHFFFAOYSA-N
MW364.62 g/mol
LogP7.75
Rot. Bonds4

About 1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene

1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene (PubChem CID 101326735) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is 1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene.

Molecular Properties

Compound Name1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene
PubChem CID101326735
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Name1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene
SMILESCC(C)(C)c1ccc(CCCc2cc(C(C)(C)C)ccc2C(C)(C)C)cc1
InChIInChI=1S/C27H40/c1-25(2,3)22-15-13-20(14-16-22)11-10-12-21-19-23(26(4,5)6)17-18-24(21)27(7,8)9/h13-19H,10-12H2,1-9H3
InChIKeyYTGLTFOOTKFOIS-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-undecylbenzene
CID 162402478
2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol
CID 11792333
(2,4-ditert-butylphenyl)methanamine
CID 174492091
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
4-(4-tert-butylphenyl)butanamide
CID 20619639
4-[4-(4-tert-butylphenyl)butyl]-3-ethylpyridine
CID 14883799
2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
CID 129085386
1-(4-bromo-5,5-dimethylhexyl)-4-tert-butylbenzene
CID 64509236
2-(2,4-ditert-butylphenyl)acetamide
CID 134462410
3-(4-tert-butylphenyl)-N-propylpropan-1-amine
CID 62528827
4-butyl-N-(4-tert-butylphenyl)aniline
CID 70153981
4-(4-tert-butylphenyl)butanethioamide
CID 83928746

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene?
The IUPAC name of 1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene (CID 101326735) is 1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene.
What is the SMILES notation for 1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene?
The canonical SMILES for 1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene is CC(C)(C)c1ccc(CCCc2cc(C(C)(C)C)ccc2C(C)(C)C)cc1.
What is the InChIKey of 1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene?
The InChIKey is YTGLTFOOTKFOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40/c1-25(2,3)22-15-13-20(14-16-22)11-10-12-21-19-23(26(4,5)6)17-18-24(21)27(7,8)9/h13-19H,10-12H2,1-9H3.
What are the key properties of 1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene?
1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene has a molecular weight of 364.62 g/mol, XLogP of 7.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2-[3-(4-tert-butylphenyl)propyl]benzene is sourced from PubChem (CID 101326735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).