2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene

C22H24 — CID 102315083

IUPAC2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1/C=C/C=C/C=C/c1c(C)cccc1C
InChIInChI=1S/C22H24/c1-17-11-9-12-18(2)21(17)15-7-5-6-8-16-22-19(3)13-10-14-20(22)4/h5-16H,1-4H3/b6-5+,15-7+,16-8+
InChIKeyGMTIOJZYQVTMKK-SGOAZFLYSA-N
MW288.43 g/mol
LogP6.20
Rot. Bonds4

About 2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene

2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene (PubChem CID 102315083) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene
PubChem CID102315083
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1/C=C/C=C/C=C/c1c(C)cccc1C
InChIInChI=1S/C22H24/c1-17-11-9-12-18(2)21(17)15-7-5-6-8-16-22-19(3)13-10-14-20(22)4/h5-16H,1-4H3/b6-5+,15-7+,16-8+
InChIKeyGMTIOJZYQVTMKK-SGOAZFLYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene with MolForge

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Related Compounds

[3-methyl-2-[4-(2-methyl-6-phosphanyloxyphenyl)buta-1,3-dienyl]phenoxy]phosphane
CID 91033370
1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene
CID 146239121
1,3-dimethyl-2-[(Z)-prop-1-enyl]benzene;2-methylpropane
CID 143961291
3-(2,6-dimethylphenyl)prop-2-ene-1-thiol
CID 169454689
3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839
2,6-dimethylbenzaldehyde
CID 159545887
1,3-dimethyl-2-[(E)-2-nitroethenyl]benzene
CID 23502673
2-[(1E)-hexa-1,5-dienyl]-1,3-dimethylbenzene
CID 102344241
2-[(1Z)-buta-1,3-dienyl]-1-methyl-3-propan-2-ylbenzene;ethane
CID 142171523
acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
CID 102152874

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene (CID 102315083) is 2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene is Cc1cccc(C)c1/C=C/C=C/C=C/c1c(C)cccc1C.
What is the InChIKey of 2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene?
The InChIKey is GMTIOJZYQVTMKK-SGOAZFLYSA-N. The full InChI is InChI=1S/C22H24/c1-17-11-9-12-18(2)21(17)15-7-5-6-8-16-22-19(3)13-10-14-20(22)4/h5-16H,1-4H3/b6-5+,15-7+,16-8+.
What are the key properties of 2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene?
2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene has a molecular weight of 288.43 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene is sourced from PubChem (CID 102315083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).