1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene

C28H42 — CID 174699471

IUPAC1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene
SMILESCCCCC(CCC)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H42/c1-9-11-21-28(20-10-2,24-16-12-22(13-17-24)26(3,4)5)25-18-14-23(15-19-25)27(6,7)8/h12-19H,9-11,20-21H2,1-8H3
InChIKeyLPWVFOFZSLUOHF-UHFFFAOYSA-N
MW378.64 g/mol
LogP8.56
Rot. Bonds7

About 1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene

1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene (PubChem CID 174699471) has the molecular formula C28H42 and a molecular weight of 378.64 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene
PubChem CID174699471
Molecular FormulaC28H42
Molecular Weight378.64 g/mol
Exact Mass378.33
IUPAC Name1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene
SMILESCCCCC(CCC)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H42/c1-9-11-21-28(20-10-2,24-16-12-22(13-17-24)26(3,4)5)25-18-14-23(15-19-25)27(6,7)8/h12-19H,9-11,20-21H2,1-8H3
InChIKeyLPWVFOFZSLUOHF-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline
CID 67826991
15-phenylnonacosan-15-ylbenzene
CID 141310981
tert-butylbenzene;hexane
CID 175254424
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
1-tert-butyl-4-undecylbenzene
CID 162402478
4-[4-[4-[4-(4-aminophenoxy)phenyl]heptan-4-yl]phenoxy]aniline
CID 56978191
4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol
CID 139838357
4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
(1S)-1-(4-tert-butylphenyl)hexan-1-amine
CID 28979853
4-[4-[5-[4-(4-aminophenoxy)phenyl]-1-fluorononan-5-yl]phenoxy]aniline
CID 57315593
1-(4-naphthalen-1-yloctan-4-yl)naphthalene
CID 174772788
1-(4-tert-butylphenyl)decan-1-amine
CID 65449130

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene?
The IUPAC name of 1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene (CID 174699471) is 1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene?
The canonical SMILES for 1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene is CCCCC(CCC)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene?
The InChIKey is LPWVFOFZSLUOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42/c1-9-11-21-28(20-10-2,24-16-12-22(13-17-24)26(3,4)5)25-18-14-23(15-19-25)27(6,7)8/h12-19H,9-11,20-21H2,1-8H3.
What are the key properties of 1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene?
1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene has a molecular weight of 378.64 g/mol, XLogP of 8.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-(4-tert-butylphenyl)octan-4-yl]benzene is sourced from PubChem (CID 174699471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).