5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene

C12H20 — CID 142845653

IUPAC5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene
SMILESCCC1C=C(C)C(C)=CC1CC
InChIInChI=1S/C12H20/c1-5-11-7-9(3)10(4)8-12(11)6-2/h7-8,11-12H,5-6H2,1-4H3
InChIKeyMZKAFLVJPSHMSJ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds2

About 5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene

5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene (PubChem CID 142845653) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene
PubChem CID142845653
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene
SMILESCCC1C=C(C)C(C)=CC1CC
InChIInChI=1S/C12H20/c1-5-11-7-9(3)10(4)8-12(11)6-2/h7-8,11-12H,5-6H2,1-4H3
InChIKeyMZKAFLVJPSHMSJ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 89091133
ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene
CID 144517632
(1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol
CID 134970353
(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
CID 163464724
1-(3-chloro-4-ethyl-6-methylcyclohexa-1,5-dien-1-yl)butan-2-one
CID 146481631
(6S)-3-ethyl-1,4,6-trimethylcyclohexene
CID 163545872
5,6-diethylcyclohexa-1,3-diene
CID 556515
bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane
CID 139699566
6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene
CID 123748890
3-butan-2-yl-1-methylcyclopropene
CID 123179212
1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone
CID 146332066
3,4-diethylcyclohexen-1-ol
CID 101312090

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene (CID 142845653) is 5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene is CCC1C=C(C)C(C)=CC1CC.
What is the InChIKey of 5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene?
The InChIKey is MZKAFLVJPSHMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-11-7-9(3)10(4)8-12(11)6-2/h7-8,11-12H,5-6H2,1-4H3.
What are the key properties of 5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene?
5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 142845653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).