5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne

C30H6 — CID 101337739

IUPAC5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne
SMILESC#CC(C#C)=C1C#CC#CC(=C(C#C)C#C)C#CC#CC(=C(C#C)C#C)C#CC#C1
InChIInChI=1S/C30H6/c1-7-25(8-2)28-19-13-15-21-29(26(9-3)10-4)23-17-18-24-30(22-16-14-20-28)27(11-5)12-6/h1-6H
InChIKeyVWXHVNRZIXIXEP-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.71
Rot. Bonds

About 5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne

5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne (PubChem CID 101337739) has the molecular formula C30H6 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne.

Molecular Properties

Compound Name5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne
PubChem CID101337739
Molecular FormulaC30H6
Molecular Weight366.38 g/mol
Exact Mass366.05
IUPAC Name5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne
SMILESC#CC(C#C)=C1C#CC#CC(=C(C#C)C#C)C#CC#CC(=C(C#C)C#C)C#CC#C1
InChIInChI=1S/C30H6/c1-7-25(8-2)28-19-13-15-21-29(26(9-3)10-4)23-17-18-24-30(22-16-14-20-28)27(11-5)12-6/h1-6H
InChIKeyVWXHVNRZIXIXEP-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.71
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 5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne?
The IUPAC name of 5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne (CID 101337739) is 5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne.
What is the SMILES notation for 5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne?
The canonical SMILES for 5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne is C#CC(C#C)=C1C#CC#CC(=C(C#C)C#C)C#CC#CC(=C(C#C)C#C)C#CC#C1.
What is the InChIKey of 5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne?
The InChIKey is VWXHVNRZIXIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H6/c1-7-25(8-2)28-19-13-15-21-29(26(9-3)10-4)23-17-18-24-30(22-16-14-20-28)27(11-5)12-6/h1-6H.
What are the key properties of 5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne?
5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne has a molecular weight of 366.38 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne is sourced from PubChem (CID 101337739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).