1-ethenylcyclohexa-1,2,4-triene

C8H8 — CID 173485639

IUPAC1-ethenylcyclohexa-1,2,4-triene
SMILESC=CC1=C=CC=CC1
InChIInChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-5H,1,6H2
InChIKeyZQBYDGDNCSDHMU-UHFFFAOYSA-N
MW104.15 g/mol
LogP2.21
Rot. Bonds1

About 1-ethenylcyclohexa-1,2,4-triene

1-ethenylcyclohexa-1,2,4-triene (PubChem CID 173485639) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is 1-ethenylcyclohexa-1,2,4-triene.

Molecular Properties

Compound Name1-ethenylcyclohexa-1,2,4-triene
PubChem CID173485639
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name1-ethenylcyclohexa-1,2,4-triene
SMILESC=CC1=C=CC=CC1
InChIInChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-5H,1,6H2
InChIKeyZQBYDGDNCSDHMU-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylcyclohexa-1,2,4-triene?
The IUPAC name of 1-ethenylcyclohexa-1,2,4-triene (CID 173485639) is 1-ethenylcyclohexa-1,2,4-triene.
What is the SMILES notation for 1-ethenylcyclohexa-1,2,4-triene?
The canonical SMILES for 1-ethenylcyclohexa-1,2,4-triene is C=CC1=C=CC=CC1.
What is the InChIKey of 1-ethenylcyclohexa-1,2,4-triene?
The InChIKey is ZQBYDGDNCSDHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-5H,1,6H2.
What are the key properties of 1-ethenylcyclohexa-1,2,4-triene?
1-ethenylcyclohexa-1,2,4-triene has a molecular weight of 104.15 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcyclohexa-1,2,4-triene is sourced from PubChem (CID 173485639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).