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

C20H22 — CID 142095529

IUPAC4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene
SMILESC=Cc1cc(C(C)(C)C)ccc1/C=C/c1ccccc1
InChIInChI=1S/C20H22/c1-5-17-15-19(20(2,3)4)14-13-18(17)12-11-16-9-7-6-8-10-16/h5-15H,1H2,2-4H3/b12-11+
InChIKeyTYSJIHLFMYGCTD-VAWYXSNFSA-N
MW262.40 g/mol
LogP5.80
Rot. Bonds3

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

4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene (PubChem CID 142095529) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene
PubChem CID142095529
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene
SMILESC=Cc1cc(C(C)(C)C)ccc1/C=C/c1ccccc1
InChIInChI=1S/C20H22/c1-5-17-15-19(20(2,3)4)14-13-18(17)12-11-16-9-7-6-8-10-16/h5-15H,1H2,2-4H3/b12-11+
InChIKeyTYSJIHLFMYGCTD-VAWYXSNFSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene (CID 142095529) is 4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene is C=Cc1cc(C(C)(C)C)ccc1/C=C/c1ccccc1.
What is the InChIKey of 4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene?
The InChIKey is TYSJIHLFMYGCTD-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H22/c1-5-17-15-19(20(2,3)4)14-13-18(17)12-11-16-9-7-6-8-10-16/h5-15H,1H2,2-4H3/b12-11+.
What are the key properties of 4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene?
4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene has a molecular weight of 262.40 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 142095529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).