1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene

C15H18 — CID 143793879

IUPAC1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
SMILESCC1=C(c2ccccc2C)CC(C)C=C1
InChIInChI=1S/C15H18/c1-11-8-9-13(3)15(10-11)14-7-5-4-6-12(14)2/h4-9,11H,10H2,1-3H3
InChIKeyUELAALGVKPAPBY-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.36
Rot. Bonds1

About 1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene

1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene (PubChem CID 143793879) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
PubChem CID143793879
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
SMILESCC1=C(c2ccccc2C)CC(C)C=C1
InChIInChI=1S/C15H18/c1-11-8-9-13(3)15(10-11)14-7-5-4-6-12(14)2/h4-9,11H,10H2,1-3H3
InChIKeyUELAALGVKPAPBY-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 143691783
2-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-1,6-dimethylpyridin-1-ium
CID 172535008
1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
3,9-dimethyl-4,9-dihydro-3H-fluorene
CID 143889086
3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene
CID 123300058
2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine
CID 167158849
4-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-7-(2-methylphenyl)-1,10-phenanthroline
CID 163696500
(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine
CID 57022563
1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 142215714
5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine
CID 90361156
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene?
The IUPAC name of 1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene (CID 143793879) is 1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene.
What is the SMILES notation for 1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene?
The canonical SMILES for 1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene is CC1=C(c2ccccc2C)CC(C)C=C1.
What is the InChIKey of 1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene?
The InChIKey is UELAALGVKPAPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-11-8-9-13(3)15(10-11)14-7-5-4-6-12(14)2/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene?
1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene is sourced from PubChem (CID 143793879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).