1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene

C19H22 — CID 143759676

IUPAC1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene
SMILESC/C(=C\C=C(/C)c1ccc(C)cc1)C1=CC=CCC1
InChIInChI=1S/C19H22/c1-15-9-13-19(14-10-15)17(3)12-11-16(2)18-7-5-4-6-8-18/h4-5,7,9-14H,6,8H2,1-3H3/b16-11+,17-12+
InChIKeyIOCKFRJTDHHQFO-MAEUFBSDSA-N
MW250.38 g/mol
LogP5.62
Rot. Bonds3

About 1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene

1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene (PubChem CID 143759676) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene
PubChem CID143759676
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene
SMILESC/C(=C\C=C(/C)c1ccc(C)cc1)C1=CC=CCC1
InChIInChI=1S/C19H22/c1-15-9-13-19(14-10-15)17(3)12-11-16(2)18-7-5-4-6-8-18/h4-5,7,9-14H,6,8H2,1-3H3/b16-11+,17-12+
InChIKeyIOCKFRJTDHHQFO-MAEUFBSDSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
acetylene;(5E)-2-[(Z)-3-cyclohexa-1,3-dien-1-ylprop-1-enyl]-5-[(E)-3-(4-methylphenyl)but-2-enylidene]cyclohexa-1,3-dien-1-amine
CID 145306508
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]cyclohepta-1,3-diene
CID 143339370
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
CID 163262165
CID 163262165
1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
CID 143915057
1-[(1Z,3E)-1-cyclohexa-1,3-dien-1-yl-3-methylhexa-1,3,5-trien-2-yl]-4-methylbenzene;(3Z)-2-methylpenta-1,3-diene
CID 142925856
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
carbon monoxide;1-cyclohexa-1,3-dien-1-ylethanone;iron
CID 11043549
2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene
CID 143516751

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene?
The IUPAC name of 1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene (CID 143759676) is 1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene is C/C(=C\C=C(/C)c1ccc(C)cc1)C1=CC=CCC1.
What is the InChIKey of 1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene?
The InChIKey is IOCKFRJTDHHQFO-MAEUFBSDSA-N. The full InChI is InChI=1S/C19H22/c1-15-9-13-19(14-10-15)17(3)12-11-16(2)18-7-5-4-6-8-18/h4-5,7,9-14H,6,8H2,1-3H3/b16-11+,17-12+.
What are the key properties of 1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene?
1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene has a molecular weight of 250.38 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-5-cyclohexa-1,3-dien-1-ylhexa-2,4-dien-2-yl]-4-methylbenzene is sourced from PubChem (CID 143759676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).