2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene

C16H20 — CID 20679583

IUPAC2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene
SMILESC=CCCC(C)(C1=CCC=C1)C1=CCC=C1
InChIInChI=1S/C16H20/c1-3-4-13-16(2,14-9-5-6-10-14)15-11-7-8-12-15/h3,5,7,9-12H,1,4,6,8,13H2,2H3
InChIKeyZSOZNLLCCDPDMP-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.73
Rot. Bonds5

About 2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene

2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene (PubChem CID 20679583) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene
PubChem CID20679583
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene
SMILESC=CCCC(C)(C1=CCC=C1)C1=CCC=C1
InChIInChI=1S/C16H20/c1-3-4-13-16(2,14-9-5-6-10-14)15-11-7-8-12-15/h3,5,7,9-12H,1,4,6,8,13H2,2H3
InChIKeyZSOZNLLCCDPDMP-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-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 2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene (CID 20679583) is 2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene is C=CCCC(C)(C1=CCC=C1)C1=CCC=C1.
What is the InChIKey of 2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene?
The InChIKey is ZSOZNLLCCDPDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-3-4-13-16(2,14-9-5-6-10-14)15-11-7-8-12-15/h3,5,7,9-12H,1,4,6,8,13H2,2H3.
What are the key properties of 2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene?
2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene has a molecular weight of 212.34 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopenta-1,4-dien-1-ylhex-5-en-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 20679583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).