octadeca-1,3,5,7,10,12,14,16-octayne

C18H6 — CID 59330718

IUPACoctadeca-1,3,5,7,10,12,14,16-octayne
SMILESC#CC#CC#CC#CCC#CC#CC#CC#CC
InChIInChI=1S/C18H6/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,17H2,2H3
InChIKeyZADNRYXYPFVVOP-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.05
Rot. Bonds

About octadeca-1,3,5,7,10,12,14,16-octayne

octadeca-1,3,5,7,10,12,14,16-octayne (PubChem CID 59330718) has the molecular formula C18H6 and a molecular weight of 222.25 g/mol. Its IUPAC name is octadeca-1,3,5,7,10,12,14,16-octayne.

Molecular Properties

Compound Nameoctadeca-1,3,5,7,10,12,14,16-octayne
PubChem CID59330718
Molecular FormulaC18H6
Molecular Weight222.25 g/mol
Exact Mass222.05
IUPAC Nameoctadeca-1,3,5,7,10,12,14,16-octayne
SMILESC#CC#CC#CC#CCC#CC#CC#CC#CC
InChIInChI=1S/C18H6/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,17H2,2H3
InChIKeyZADNRYXYPFVVOP-UHFFFAOYSA-N
XLogP1.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.05
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 octadeca-1,3,5,7,10,12,14,16-octayne?
The IUPAC name of octadeca-1,3,5,7,10,12,14,16-octayne (CID 59330718) is octadeca-1,3,5,7,10,12,14,16-octayne.
What is the SMILES notation for octadeca-1,3,5,7,10,12,14,16-octayne?
The canonical SMILES for octadeca-1,3,5,7,10,12,14,16-octayne is C#CC#CC#CC#CCC#CC#CC#CC#CC.
What is the InChIKey of octadeca-1,3,5,7,10,12,14,16-octayne?
The InChIKey is ZADNRYXYPFVVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,17H2,2H3.
What are the key properties of octadeca-1,3,5,7,10,12,14,16-octayne?
octadeca-1,3,5,7,10,12,14,16-octayne has a molecular weight of 222.25 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-1,3,5,7,10,12,14,16-octayne is sourced from PubChem (CID 59330718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).