1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene

C22H28 — CID 174720320

IUPAC1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene
SMILESC=Cc1cccc(C(C)(C)C)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28/c1-8-16-10-9-11-19(22(5,6)7)20(16)17-12-14-18(15-13-17)21(2,3)4/h8-15H,1H2,2-7H3
InChIKeyMFHLIUVKTJDXNE-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.59
Rot. Bonds2

About 1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene

1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene (PubChem CID 174720320) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene
PubChem CID174720320
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene
SMILESC=Cc1cccc(C(C)(C)C)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28/c1-8-16-10-9-11-19(22(5,6)7)20(16)17-12-14-18(15-13-17)21(2,3)4/h8-15H,1H2,2-7H3
InChIKeyMFHLIUVKTJDXNE-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene?
The IUPAC name of 1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene (CID 174720320) is 1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene.
What is the SMILES notation for 1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene?
The canonical SMILES for 1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene is C=Cc1cccc(C(C)(C)C)c1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene?
The InChIKey is MFHLIUVKTJDXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-8-16-10-9-11-19(22(5,6)7)20(16)17-12-14-18(15-13-17)21(2,3)4/h8-15H,1H2,2-7H3.
What are the key properties of 1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene?
1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene has a molecular weight of 292.47 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene is sourced from PubChem (CID 174720320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).