cyclododeca-1,5,9-triene

C12H18 — CID 12668

IUPACcyclododeca-1,5,9-triene
SMILESC1=CCCC=CCCC=CCC1
InChIInChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2
InChIKeyZOLLIQAKMYWTBR-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds

About cyclododeca-1,5,9-triene

cyclododeca-1,5,9-triene (PubChem CID 12668) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is cyclododeca-1,5,9-triene.

Molecular Properties

Compound Namecyclododeca-1,5,9-triene
PubChem CID12668
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Namecyclododeca-1,5,9-triene
SMILESC1=CCCC=CCCC=CCC1
InChIInChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2
InChIKeyZOLLIQAKMYWTBR-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclododeca-1,5,9-triene 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 cyclododeca-1,5,9-triene?
The IUPAC name of cyclododeca-1,5,9-triene (CID 12668) is cyclododeca-1,5,9-triene.
What is the SMILES notation for cyclododeca-1,5,9-triene?
The canonical SMILES for cyclododeca-1,5,9-triene is C1=CCCC=CCCC=CCC1.
What is the InChIKey of cyclododeca-1,5,9-triene?
The InChIKey is ZOLLIQAKMYWTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2.
What are the key properties of cyclododeca-1,5,9-triene?
cyclododeca-1,5,9-triene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododeca-1,5,9-triene is sourced from PubChem (CID 12668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).