cyclohepta-1,2,4,6-tetraene

C7H6 — CID 5488303

IUPACcyclohepta-1,2,4,6-tetraene
SMILESC1=CC=CC=CC=1
InChIInChI=1S/C7H6/c1-2-4-6-7-5-3-1/h1-6H
InChIKeyQCGSIOBRVKSPBW-UHFFFAOYSA-N
MW90.12 g/mol
LogP1.82
Rot. Bonds

About cyclohepta-1,2,4,6-tetraene

cyclohepta-1,2,4,6-tetraene (PubChem CID 5488303) has the molecular formula C7H6 and a molecular weight of 90.12 g/mol. Its IUPAC name is cyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Namecyclohepta-1,2,4,6-tetraene
PubChem CID5488303
Molecular FormulaC7H6
Molecular Weight90.12 g/mol
Exact Mass90.05
IUPAC Namecyclohepta-1,2,4,6-tetraene
SMILESC1=CC=CC=CC=1
InChIInChI=1S/C7H6/c1-2-4-6-7-5-3-1/h1-6H
InChIKeyQCGSIOBRVKSPBW-UHFFFAOYSA-N
XLogP1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclohepta-1,2,4,6-tetraene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,2,4,6-tetraene?
The IUPAC name of cyclohepta-1,2,4,6-tetraene (CID 5488303) is cyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for cyclohepta-1,2,4,6-tetraene?
The canonical SMILES for cyclohepta-1,2,4,6-tetraene is C1=CC=CC=CC=1.
What is the InChIKey of cyclohepta-1,2,4,6-tetraene?
The InChIKey is QCGSIOBRVKSPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6/c1-2-4-6-7-5-3-1/h1-6H.
What are the key properties of cyclohepta-1,2,4,6-tetraene?
cyclohepta-1,2,4,6-tetraene has a molecular weight of 90.12 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 5488303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).