2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene

C12H20 — CID 142364149

IUPAC2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene
SMILESCCC1=C(C)CCC(C)=C1CC
InChIInChI=1S/C12H20/c1-5-11-9(3)7-8-10(4)12(11)6-2/h5-8H2,1-4H3
InChIKeyKZOBTJLQAAVKLB-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.23
Rot. Bonds2

About 2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene

2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene (PubChem CID 142364149) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene
PubChem CID142364149
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene
SMILESCCC1=C(C)CCC(C)=C1CC
InChIInChI=1S/C12H20/c1-5-11-9(3)7-8-10(4)12(11)6-2/h5-8H2,1-4H3
InChIKeyKZOBTJLQAAVKLB-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-diethyl-1,4-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

3,6-diethyl-2,5-dimethyl-1,4-dihydropentalene;ethane;methane
CID 158813284
3,6-diethyl-2,5-dimethyl-1,4-dihydropentalene;ethane;methane;propane
CID 159803320
2-(diethylamino)-3-methylcyclopent-2-en-1-one
CID 18185991
2-[(Z)-2,3-dideuteriopent-2-enyl]-3-methylcyclopent-2-en-1-one
CID 171391730
2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one
CID 13027966
1-bromo-2-methylcyclobutene
CID 45090410
4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine
CID 23423763
2-but-3-enyl-3-methylcyclopent-2-en-1-one
CID 13024689
1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium
CID 87713855
2-(4-chlorobutyl)-3-methylcyclopent-2-en-1-one
CID 102244365
butane-1,4-diamine;3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one
CID 67784181
1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene
CID 87981778

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene?
The IUPAC name of 2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene (CID 142364149) is 2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene is CCC1=C(C)CCC(C)=C1CC.
What is the InChIKey of 2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene?
The InChIKey is KZOBTJLQAAVKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-11-9(3)7-8-10(4)12(11)6-2/h5-8H2,1-4H3.
What are the key properties of 2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene?
2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 142364149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).