1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene

C14H18 — CID 102344242

IUPAC1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene
SMILESC=CCC/C=C/c1ccc(C)cc1C
InChIInChI=1S/C14H18/c1-4-5-6-7-8-14-10-9-12(2)11-13(14)3/h4,7-11H,1,5-6H2,2-3H3/b8-7+
InChIKeyPNJBOXBUFOVFAV-BQYQJAHWSA-N
MW186.30 g/mol
LogP4.28
Rot. Bonds4

About 1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene

1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene (PubChem CID 102344242) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene
PubChem CID102344242
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene
SMILESC=CCC/C=C/c1ccc(C)cc1C
InChIInChI=1S/C14H18/c1-4-5-6-7-8-14-10-9-12(2)11-13(14)3/h4,7-11H,1,5-6H2,2-3H3/b8-7+
InChIKeyPNJBOXBUFOVFAV-BQYQJAHWSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-4-chlorobut-1-enyl]-2,4-dimethylbenzene
CID 82076018
1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene
CID 142233895
1-ethenyl-2,4-dimethylbenzene
CID 157285903
1-(2-chloroethenyl)-2,4-dimethylbenzene
CID 54480012
6-(2,4-dimethylphenyl)hex-5-enyl acetate
CID 72594663
2-[(1E)-hexa-1,5-dienyl]-1,3-dimethylbenzene
CID 102344241
2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane
CID 161062923
2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene
CID 15751246
2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene
CID 173274077
4-(2-bromo-4-methylphenyl)but-3-en-1-amine
CID 170487934
1-hept-6-enyl-2,4-dimethylbenzene
CID 91041017
4-(2-bromo-4-methylphenyl)but-3-en-1-ol
CID 170477579

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene (CID 102344242) is 1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene is C=CCC/C=C/c1ccc(C)cc1C.
What is the InChIKey of 1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene?
The InChIKey is PNJBOXBUFOVFAV-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H18/c1-4-5-6-7-8-14-10-9-12(2)11-13(14)3/h4,7-11H,1,5-6H2,2-3H3/b8-7+.
What are the key properties of 1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene?
1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene has a molecular weight of 186.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-hexa-1,5-dienyl]-2,4-dimethylbenzene is sourced from PubChem (CID 102344242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).