3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne

C20H6 — CID 15047833

IUPAC3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne
SMILESC#CC(C#C)=C(C#C)C#CC#CC(C#C)=C(C#C)C#C
InChIInChI=1S/C20H6/c1-7-17(8-2)19(11-5)15-13-14-16-20(12-6)18(9-3)10-4/h1-6H
InChIKeyTXGXDGDLLGZJRW-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.39
Rot. Bonds

About 3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne

3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne (PubChem CID 15047833) has the molecular formula C20H6 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne.

Molecular Properties

Compound Name3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne
PubChem CID15047833
Molecular FormulaC20H6
Molecular Weight246.27 g/mol
Exact Mass246.05
IUPAC Name3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne
SMILESC#CC(C#C)=C(C#C)C#CC#CC(C#C)=C(C#C)C#C
InChIInChI=1S/C20H6/c1-7-17(8-2)19(11-5)15-13-14-16-20(12-6)18(9-3)10-4/h1-6H
InChIKeyTXGXDGDLLGZJRW-UHFFFAOYSA-N
XLogP1.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne?
The IUPAC name of 3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne (CID 15047833) is 3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne.
What is the SMILES notation for 3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne?
The canonical SMILES for 3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne is C#CC(C#C)=C(C#C)C#CC#CC(C#C)=C(C#C)C#C.
What is the InChIKey of 3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne?
The InChIKey is TXGXDGDLLGZJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H6/c1-7-17(8-2)19(11-5)15-13-14-16-20(12-6)18(9-3)10-4/h1-6H.
What are the key properties of 3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne?
3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne has a molecular weight of 246.27 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9,10-tetraethynyldodeca-3,9-dien-1,5,7,11-tetrayne is sourced from PubChem (CID 15047833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).