1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene

C26H36 — CID 23369110

IUPAC1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
SMILESCC/C(=C(/CC)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H36/c1-9-23(19-11-15-21(16-12-19)25(3,4)5)24(10-2)20-13-17-22(18-14-20)26(6,7)8/h11-18H,9-10H2,1-8H3/b24-23+
InChIKeyRXZHKHUCKQOFAE-WCWDXBQESA-N
MW348.57 g/mol
LogP8.01
Rot. Bonds4

About 1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene

1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene (PubChem CID 23369110) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
PubChem CID23369110
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
SMILESCC/C(=C(/CC)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H36/c1-9-23(19-11-15-21(16-12-19)25(3,4)5)24(10-2)20-13-17-22(18-14-20)26(6,7)8/h11-18H,9-10H2,1-8H3/b24-23+
InChIKeyRXZHKHUCKQOFAE-WCWDXBQESA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 58.01
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

2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol
CID 178015326
4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride
CID 172690267
1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
CID 6376326
(Z)-3-(4-tert-butylphenyl)pent-2-enenitrile
CID 144776711
1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015
(Z)-1,2-bis(4-tert-butylphenyl)ethene-1,2-dithiolate
CID 102081798
copper 4-tert-butylbenzoic acid
CID 54604773
CID 67550053
CID 67550053
3-(4-tert-butylphenyl)pentan-3-amine
CID 60986945
4-tert-butylbenzoic acid;copper
CID 67780260
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
1,5-bis(4-tert-butylphenyl)pentane-1,3,5-trione
CID 66932735

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene?
The IUPAC name of 1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene (CID 23369110) is 1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene?
The canonical SMILES for 1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene is CC/C(=C(/CC)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene?
The InChIKey is RXZHKHUCKQOFAE-WCWDXBQESA-N. The full InChI is InChI=1S/C26H36/c1-9-23(19-11-15-21(16-12-19)25(3,4)5)24(10-2)20-13-17-22(18-14-20)26(6,7)8/h11-18H,9-10H2,1-8H3/b24-23+.
What are the key properties of 1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene?
1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene has a molecular weight of 348.57 g/mol, XLogP of 8.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene is sourced from PubChem (CID 23369110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).