1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene

C22H28 — CID 164762812

IUPAC1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
SMILESCC(C)(C)c1ccc(/C=C/c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C22H28/c1-21(2,3)19-14-12-17(13-15-19)10-11-18-8-7-9-20(16-18)22(4,5)6/h7-16H,1-6H3/b11-10+
InChIKeyLJAQUJQGWXRMHZ-ZHACJKMWSA-N
MW292.47 g/mol
LogP6.45
Rot. Bonds2

About 1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene

1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene (PubChem CID 164762812) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
PubChem CID164762812
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
SMILESCC(C)(C)c1ccc(/C=C/c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C22H28/c1-21(2,3)19-14-12-17(13-15-19)10-11-18-8-7-9-20(16-18)22(4,5)6/h7-16H,1-6H3/b11-10+
InChIKeyLJAQUJQGWXRMHZ-ZHACJKMWSA-N
XLogP6.45
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 ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
1-(4-bromobut-1-enyl)-3-tert-butylbenzene
CID 170497666
1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101407026
N-tert-butyl-1-(3-tert-butylphenyl)methanimine
CID 22968786
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
CID 141309127
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
4-(3-tert-butylphenyl)but-3-enamide
CID 170798133
alumane;1,3-ditert-butylbenzene
CID 174392215
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene?
The IUPAC name of 1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene (CID 164762812) is 1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene?
The canonical SMILES for 1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene is CC(C)(C)c1ccc(/C=C/c2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of 1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene?
The InChIKey is LJAQUJQGWXRMHZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H28/c1-21(2,3)19-14-12-17(13-15-19)10-11-18-8-7-9-20(16-18)22(4,5)6/h7-16H,1-6H3/b11-10+.
What are the key properties of 1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene?
1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene has a molecular weight of 292.47 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene is sourced from PubChem (CID 164762812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).