5-ethenylcyclohexa-1,3-diene

C8H10 — CID 14764380

IUPAC5-ethenylcyclohexa-1,3-diene
SMILESC=CC1C=CC=CC1
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h2-6,8H,1,7H2
InChIKeyQFXKUEDTOIEZOF-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.30
Rot. Bonds1

About 5-ethenylcyclohexa-1,3-diene

5-ethenylcyclohexa-1,3-diene (PubChem CID 14764380) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 5-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenylcyclohexa-1,3-diene
PubChem CID14764380
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name5-ethenylcyclohexa-1,3-diene
SMILESC=CC1C=CC=CC1
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h2-6,8H,1,7H2
InChIKeyQFXKUEDTOIEZOF-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylcyclohexa-1,3-diene?
The IUPAC name of 5-ethenylcyclohexa-1,3-diene (CID 14764380) is 5-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethenylcyclohexa-1,3-diene is C=CC1C=CC=CC1.
What is the InChIKey of 5-ethenylcyclohexa-1,3-diene?
The InChIKey is QFXKUEDTOIEZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h2-6,8H,1,7H2.
What are the key properties of 5-ethenylcyclohexa-1,3-diene?
5-ethenylcyclohexa-1,3-diene has a molecular weight of 106.17 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 14764380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).