2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene

C22H26 — CID 142037579

IUPAC2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene
SMILESCC/C=C(C(/C)=C/c1ccccc1C)\c1ccc(C)cc1C
InChIInChI=1S/C22H26/c1-6-9-21(22-13-12-16(2)14-18(22)4)19(5)15-20-11-8-7-10-17(20)3/h7-15H,6H2,1-5H3/b19-15+,21-9-
InChIKeyJAHXJUNTJFCEAE-QKVZUXMZSA-N
MW290.45 g/mol
LogP6.51
Rot. Bonds4

About 2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene

2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene (PubChem CID 142037579) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene
PubChem CID142037579
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene
SMILESCC/C=C(C(/C)=C/c1ccccc1C)\c1ccc(C)cc1C
InChIInChI=1S/C22H26/c1-6-9-21(22-13-12-16(2)14-18(22)4)19(5)15-20-11-8-7-10-17(20)3/h7-15H,6H2,1-5H3/b19-15+,21-9-
InChIKeyJAHXJUNTJFCEAE-QKVZUXMZSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.51
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-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
CID 173169574
1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene
CID 162730424
1-methyl-2-(2-methylbut-1-enyl)benzene
CID 123992258
(Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954371
1,2-dimethyl-4-[3-methyl-4-[(3E)-3-methyl-4-(2-methylphenyl)buta-1,3-dien-2-yl]phenyl]benzene;ethane
CID 142037607
2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene
CID 144671874
1-[(3E,5E)-5-ethenyl-6-methylocta-3,5,7-trien-4-yl]-2-methylbenzene
CID 143863076
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene
CID 142129554
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
CID 131387958
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene?
The IUPAC name of 2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene (CID 142037579) is 2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene is CC/C=C(C(/C)=C/c1ccccc1C)\c1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene?
The InChIKey is JAHXJUNTJFCEAE-QKVZUXMZSA-N. The full InChI is InChI=1S/C22H26/c1-6-9-21(22-13-12-16(2)14-18(22)4)19(5)15-20-11-8-7-10-17(20)3/h7-15H,6H2,1-5H3/b19-15+,21-9-.
What are the key properties of 2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene?
2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene has a molecular weight of 290.45 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(1E,3Z)-2-methyl-1-(2-methylphenyl)hexa-1,3-dien-3-yl]benzene is sourced from PubChem (CID 142037579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).