1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene

C23H28 — CID 143119388

IUPAC1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene
SMILESC/C=C(C)\C=C/CC(C)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H28/c1-6-18(2)8-7-17-23(5,21-13-9-19(3)10-14-21)22-15-11-20(4)12-16-22/h6-16H,17H2,1-5H3/b8-7-,18-6-
InChIKeyGKBHMCRSAUUQJS-ODECTHOPSA-N
MW304.48 g/mol
LogP6.52
Rot. Bonds5

About 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene

1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene (PubChem CID 143119388) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene
PubChem CID143119388
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene
SMILESC/C=C(C)\C=C/CC(C)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H28/c1-6-18(2)8-7-17-23(5,21-13-9-19(3)10-14-21)22-15-11-20(4)12-16-22/h6-16H,17H2,1-5H3/b8-7-,18-6-
InChIKeyGKBHMCRSAUUQJS-ODECTHOPSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene?
The IUPAC name of 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene (CID 143119388) is 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene is C/C=C(C)\C=C/CC(C)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene?
The InChIKey is GKBHMCRSAUUQJS-ODECTHOPSA-N. The full InChI is InChI=1S/C23H28/c1-6-18(2)8-7-17-23(5,21-13-9-19(3)10-14-21)22-15-11-20(4)12-16-22/h6-16H,17H2,1-5H3/b8-7-,18-6-.
What are the key properties of 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene?
1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene has a molecular weight of 304.48 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene is sourced from PubChem (CID 143119388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).