1-cyclohex-3-en-1-ylcyclohexa-1,4-diene

C12H16 — CID 123875821

IUPAC1-cyclohex-3-en-1-ylcyclohexa-1,4-diene
SMILESC1=CCC(C2CC=CCC2)=CC1
InChIInChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-3,5,8,12H,4,6-7,9-10H2
InChIKeyLXVUAIGCJPXNFZ-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.62
Rot. Bonds1

About 1-cyclohex-3-en-1-ylcyclohexa-1,4-diene

1-cyclohex-3-en-1-ylcyclohexa-1,4-diene (PubChem CID 123875821) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-ylcyclohexa-1,4-diene.

Molecular Properties

Compound Name1-cyclohex-3-en-1-ylcyclohexa-1,4-diene
PubChem CID123875821
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-cyclohex-3-en-1-ylcyclohexa-1,4-diene
SMILESC1=CCC(C2CC=CCC2)=CC1
InChIInChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-3,5,8,12H,4,6-7,9-10H2
InChIKeyLXVUAIGCJPXNFZ-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cyclohex-3-en-1-ylcyclohexa-1,4-diene 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 1-cyclohex-3-en-1-ylcyclohexa-1,4-diene?
The IUPAC name of 1-cyclohex-3-en-1-ylcyclohexa-1,4-diene (CID 123875821) is 1-cyclohex-3-en-1-ylcyclohexa-1,4-diene.
What is the SMILES notation for 1-cyclohex-3-en-1-ylcyclohexa-1,4-diene?
The canonical SMILES for 1-cyclohex-3-en-1-ylcyclohexa-1,4-diene is C1=CCC(C2CC=CCC2)=CC1.
What is the InChIKey of 1-cyclohex-3-en-1-ylcyclohexa-1,4-diene?
The InChIKey is LXVUAIGCJPXNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-3,5,8,12H,4,6-7,9-10H2.
What are the key properties of 1-cyclohex-3-en-1-ylcyclohexa-1,4-diene?
1-cyclohex-3-en-1-ylcyclohexa-1,4-diene has a molecular weight of 160.26 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-ylcyclohexa-1,4-diene is sourced from PubChem (CID 123875821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).