1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene

C22H26 — CID 20657013

IUPAC1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene
SMILESCC(C)=CC=C(c1ccc(C)cc1C)c1ccc(C)cc1C
InChIInChI=1S/C22H26/c1-15(2)7-10-22(20-11-8-16(3)13-18(20)5)21-12-9-17(4)14-19(21)6/h7-14H,1-6H3
InChIKeyYIYJZCPOYWUNLL-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.32
Rot. Bonds3

About 1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene

1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene (PubChem CID 20657013) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene
PubChem CID20657013
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene
SMILESCC(C)=CC=C(c1ccc(C)cc1C)c1ccc(C)cc1C
InChIInChI=1S/C22H26/c1-15(2)7-10-22(20-11-8-16(3)13-18(20)5)21-12-9-17(4)14-19(21)6/h7-14H,1-6H3
InChIKeyYIYJZCPOYWUNLL-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.32
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

2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
CID 168947702
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
2-[1-(2,4-dimethylphenyl)ethylidene]propanedioic acid
CID 90311592
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
(2,4-dimethylbenzoyl)-oxophosphanium
CID 151738944
4-(2,4-dimethylphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414229
(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol
CID 146991450
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]formamide
CID 166829852
1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one
CID 11194655

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene (CID 20657013) is 1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene is CC(C)=CC=C(c1ccc(C)cc1C)c1ccc(C)cc1C.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene?
The InChIKey is YIYJZCPOYWUNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-15(2)7-10-22(20-11-8-16(3)13-18(20)5)21-12-9-17(4)14-19(21)6/h7-14H,1-6H3.
What are the key properties of 1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene?
1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene has a molecular weight of 290.45 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene is sourced from PubChem (CID 20657013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).