1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene

C26H30 — CID 145264939

IUPAC1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene
SMILESC=C(CC/C(=C\C)c1ccc(C2=CCCC=C2)cc1)C1=CCCC(C)=C1
InChIInChI=1S/C26H30/c1-4-22(14-13-21(3)26-12-8-9-20(2)19-26)24-15-17-25(18-16-24)23-10-6-5-7-11-23/h4,6,10-12,15-19H,3,5,7-9,13-14H2,1-2H3/b22-4+
InChIKeyFPTHXPZMMPNXDJ-LKNXVUQUSA-N
MW342.53 g/mol
LogP7.83
Rot. Bonds6

About 1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene

1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene (PubChem CID 145264939) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene
PubChem CID145264939
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene
SMILESC=C(CC/C(=C\C)c1ccc(C2=CCCC=C2)cc1)C1=CCCC(C)=C1
InChIInChI=1S/C26H30/c1-4-22(14-13-21(3)26-12-8-9-20(2)19-26)24-15-17-25(18-16-24)23-10-6-5-7-11-23/h4,6,10-12,15-19H,3,5,7-9,13-14H2,1-2H3/b22-4+
InChIKeyFPTHXPZMMPNXDJ-LKNXVUQUSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene (CID 145264939) is 1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene is C=C(CC/C(=C\C)c1ccc(C2=CCCC=C2)cc1)C1=CCCC(C)=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene?
The InChIKey is FPTHXPZMMPNXDJ-LKNXVUQUSA-N. The full InChI is InChI=1S/C26H30/c1-4-22(14-13-21(3)26-12-8-9-20(2)19-26)24-15-17-25(18-16-24)23-10-6-5-7-11-23/h4,6,10-12,15-19H,3,5,7-9,13-14H2,1-2H3/b22-4+.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene?
1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene has a molecular weight of 342.53 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene is sourced from PubChem (CID 145264939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).