5-ethylcyclohexa-1,2,4-triene

C8H10 — CID 154006426

IUPAC5-ethylcyclohexa-1,2,4-triene
SMILESCCC1=CC=C=CC1
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h4-6H,2,7H2,1H3
InChIKeyCYOCZLREUBFXFY-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.44
Rot. Bonds1

About 5-ethylcyclohexa-1,2,4-triene

5-ethylcyclohexa-1,2,4-triene (PubChem CID 154006426) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 5-ethylcyclohexa-1,2,4-triene.

Molecular Properties

Compound Name5-ethylcyclohexa-1,2,4-triene
PubChem CID154006426
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name5-ethylcyclohexa-1,2,4-triene
SMILESCCC1=CC=C=CC1
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h4-6H,2,7H2,1H3
InChIKeyCYOCZLREUBFXFY-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-ethylcyclohexa-1,2,4-triene 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

5-(2-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,2,4-triene
CID 123964059
1-ethylcyclopenta-1,3-diene
CID 528166
bis(1-ethylcyclopenta-1,3-diene);ruthenium
CID 12730332
ethane;1-ethylcyclohepta-1,3,5-triene
CID 142143578
1-ethylcyclohepta-1,3,5-triene;methane
CID 145260552
1-ethylcyclopenta-1,3-diene;1H-pyrrole
CID 161342493
4-ethyl-2,3-dihydro-1H-diazepine
CID 126668535
2-cyclohexa-1,3,4-trien-1-yloxy-2-methyloxirane
CID 147979174
3-ethyl-2,5-dihydro-1H-pyridin-6-one
CID 55288091
(Z)-but-2-ene;1,4-diethylcyclohexa-1,3-diene
CID 143221988
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
5-ethyl-2-methyl-4H-azepine;toluene
CID 143728203

Frequently Asked Questions

What is the IUPAC name of 5-ethylcyclohexa-1,2,4-triene?
The IUPAC name of 5-ethylcyclohexa-1,2,4-triene (CID 154006426) is 5-ethylcyclohexa-1,2,4-triene.
What is the SMILES notation for 5-ethylcyclohexa-1,2,4-triene?
The canonical SMILES for 5-ethylcyclohexa-1,2,4-triene is CCC1=CC=C=CC1.
What is the InChIKey of 5-ethylcyclohexa-1,2,4-triene?
The InChIKey is CYOCZLREUBFXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h4-6H,2,7H2,1H3.
What are the key properties of 5-ethylcyclohexa-1,2,4-triene?
5-ethylcyclohexa-1,2,4-triene has a molecular weight of 106.17 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylcyclohexa-1,2,4-triene is sourced from PubChem (CID 154006426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).