1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene

C15H18 — CID 142215714

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

About 1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene

1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene (PubChem CID 142215714) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
PubChem CID142215714
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
SMILESCC1=C(c2ccccc2C)C(C)CC=C1
InChIInChI=1S/C15H18/c1-11-7-4-5-10-14(11)15-12(2)8-6-9-13(15)3/h4-8,10,13H,9H2,1-3H3
InChIKeyXFGRJDSANTUOKA-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

(6S)-6-methyl-6,7-dihydrobenzo[7]annulen-5-one
CID 130653450
9-[2,3-dimethyl-4-(2-methylphenyl)phenyl]-4-methyl-9-(2-methylphenyl)-3,4-dihydrofluorene
CID 145007140
3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 142835495
4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide
CID 142541086
(R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane
CID 173338379
carbon monoxide;tris(2-isocyano-1,3-dimethylbenzene);1-isocyano-2,6-dimethylcyclohexa-1,3-diene;manganese;hydrobromide
CID 134899012
1-[(3R)-2,3-dimethylcyclohexa-1,5-dien-1-yl]-2-fluorobenzene
CID 70807045
1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 143793879
4,9'-dimethylspiro[3,4-dihydrofluorene-9,10'-9H-anthracene]
CID 91333541
1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 143691783
2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
CID 91241824

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene?
The IUPAC name of 1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene (CID 142215714) is 1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene.
What is the SMILES notation for 1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene?
The canonical SMILES for 1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene is CC1=C(c2ccccc2C)C(C)CC=C1.
What is the InChIKey of 1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene?
The InChIKey is XFGRJDSANTUOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-11-7-4-5-10-14(11)15-12(2)8-6-9-13(15)3/h4-8,10,13H,9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene?
1-(2,6-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-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene is sourced from PubChem (CID 142215714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).