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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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).