[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene

C₂₈H₃₂ — CID 144537021

About [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene

[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene (PubChem CID 144537021) has the molecular formula C₂₈H₃₂ and a molecular weight of 368.56 g/mol. Its IUPAC name is [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene.

Molecular Properties

• Compound Name: [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
• PubChem CID: 144537021
• Molecular Formula: C₂₈H₃₂
• Molecular Weight: 368.56 g/mol
• Exact Mass: 368.25
• IUPAC Name: [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
• SMILES: C=C/C=C(\C=C/C)C(c1ccccc1)C(C1=CCCC=C1)C1=CCC(C)C=C1
• InChI: InChI=1S/C28H32/c1-4-12-23(13-5-2)27(24-14-8-6-9-15-24)28(25-16-10-7-11-17-25)26-20-18-22(3)19-21-26/h4-6,8-10,12-18,20-22,27-28H,1,7,11,19H2,2-3H3/b13-5-,23-12+
• InChIKey: IWIGGAJWUYJOHI-GXAPCHJBSA-N
• XLogP: 7.87
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.56
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?

The IUPAC name of [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene (CID 144537021) is [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene.

What is the SMILES notation for [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?

The canonical SMILES for [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene is C=C/C=C(\C=C/C)C(c1ccccc1)C(C1=CCCC=C1)C1=CCC(C)C=C1.

What is the InChIKey of [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?

The InChIKey is IWIGGAJWUYJOHI-GXAPCHJBSA-N. The full InChI is InChI=1S/C28H32/c1-4-12-23(13-5-2)27(24-14-8-6-9-15-24)28(25-16-10-7-11-17-25)26-20-18-22(3)19-21-26/h4-6,8-10,12-18,20-22,27-28H,1,7,11,19H2,2-3H3/b13-5-,23-12+.

What are the key properties of [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?

[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene has a molecular weight of 368.56 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene is sourced from PubChem (CID 144537021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144537021 — identifiers, structure, computed properties (public domain)

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