2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene

C16H20 — CID 141380218

IUPAC2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene
SMILESCc1cccc(C)c1C1(C)C=CC=CC1C
InChIInChI=1S/C16H20/c1-12-8-7-9-13(2)15(12)16(4)11-6-5-10-14(16)3/h5-11,14H,1-4H3
InChIKeyKJYSOVYXGBIKFY-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.32
Rot. Bonds1

About 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene

2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene (PubChem CID 141380218) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene
PubChem CID141380218
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene
SMILESCc1cccc(C)c1C1(C)C=CC=CC1C
InChIInChI=1S/C16H20/c1-12-8-7-9-13(2)15(12)16(4)11-6-5-10-14(16)3/h5-11,14H,1-4H3
InChIKeyKJYSOVYXGBIKFY-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide
CID 141314967
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine
CID 141264829
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 141155390
6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride
CID 70700010
1,8a-dimethyl-1H-naphthalene
CID 142600309
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole
CID 141490927
5-(chloromethyl)-5,6-dimethylcyclohexa-1,3-diene
CID 141115127
1,1'-biphenyl;bis(bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)-trihydroxy-λ5-phosphane)
CID 160613277
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine
CID 141131054
benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane
CID 141415068
5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
CID 175128214

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene?
The IUPAC name of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene (CID 141380218) is 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene.
What is the SMILES notation for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene?
The canonical SMILES for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene is Cc1cccc(C)c1C1(C)C=CC=CC1C.
What is the InChIKey of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene?
The InChIKey is KJYSOVYXGBIKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-12-8-7-9-13(2)15(12)16(4)11-6-5-10-14(16)3/h5-11,14H,1-4H3.
What are the key properties of 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene?
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene is sourced from PubChem (CID 141380218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).