(1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne

C20H4 — CID 15196674

IUPAC(1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne
SMILESC#C/C1=C(\C#C)C#CC#C/C(C#C)=C(/C#C)C#CC#C1
InChIInChI=1S/C20H4/c1-5-17-13-9-10-15-19(7-3)20(8-4)16-12-11-14-18(17)6-2/h1-4H/b18-17-,20-19-
InChIKeyNIMHHBYGCRWYAC-RXGVRZIVSA-N
MW244.25 g/mol
LogP1.14
Rot. Bonds

About (1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne

(1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne (PubChem CID 15196674) has the molecular formula C20H4 and a molecular weight of 244.25 g/mol. Its IUPAC name is (1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne.

Molecular Properties

Compound Name(1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne
PubChem CID15196674
Molecular FormulaC20H4
Molecular Weight244.25 g/mol
Exact Mass244.03
IUPAC Name(1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne
SMILESC#C/C1=C(\C#C)C#CC#C/C(C#C)=C(/C#C)C#CC#C1
InChIInChI=1S/C20H4/c1-5-17-13-9-10-15-19(7-3)20(8-4)16-12-11-14-18(17)6-2/h1-4H/b18-17-,20-19-
InChIKeyNIMHHBYGCRWYAC-RXGVRZIVSA-N
XLogP1.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne 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 (1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne?
The IUPAC name of (1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne (CID 15196674) is (1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne.
What is the SMILES notation for (1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne?
The canonical SMILES for (1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne is C#C/C1=C(\C#C)C#CC#C/C(C#C)=C(/C#C)C#CC#C1.
What is the InChIKey of (1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne?
The InChIKey is NIMHHBYGCRWYAC-RXGVRZIVSA-N. The full InChI is InChI=1S/C20H4/c1-5-17-13-9-10-15-19(7-3)20(8-4)16-12-11-14-18(17)6-2/h1-4H/b18-17-,20-19-.
What are the key properties of (1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne?
(1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne has a molecular weight of 244.25 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7Z)-1,2,7,8-tetraethynylcyclododeca-1,7-dien-3,5,9,11-tetrayne is sourced from PubChem (CID 15196674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).