hexadeca-1,3,5,7,9,11,13,15-octayne

C16H2 — CID 10986066

IUPAChexadeca-1,3,5,7,9,11,13,15-octayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#C
InChIInChI=1S/C16H2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-2H
InChIKeyQSNYWUGHMZAWOK-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.27
Rot. Bonds

About hexadeca-1,3,5,7,9,11,13,15-octayne

hexadeca-1,3,5,7,9,11,13,15-octayne (PubChem CID 10986066) has the molecular formula C16H2 and a molecular weight of 194.19 g/mol. Its IUPAC name is hexadeca-1,3,5,7,9,11,13,15-octayne.

Molecular Properties

Compound Namehexadeca-1,3,5,7,9,11,13,15-octayne
PubChem CID10986066
Molecular FormulaC16H2
Molecular Weight194.19 g/mol
Exact Mass194.02
IUPAC Namehexadeca-1,3,5,7,9,11,13,15-octayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#C
InChIInChI=1S/C16H2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-2H
InChIKeyQSNYWUGHMZAWOK-UHFFFAOYSA-N
XLogP0.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.27
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 hexadeca-1,3,5,7,9,11,13,15-octayne?
The IUPAC name of hexadeca-1,3,5,7,9,11,13,15-octayne (CID 10986066) is hexadeca-1,3,5,7,9,11,13,15-octayne.
What is the SMILES notation for hexadeca-1,3,5,7,9,11,13,15-octayne?
The canonical SMILES for hexadeca-1,3,5,7,9,11,13,15-octayne is C#CC#CC#CC#CC#CC#CC#CC#C.
What is the InChIKey of hexadeca-1,3,5,7,9,11,13,15-octayne?
The InChIKey is QSNYWUGHMZAWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-2H.
What are the key properties of hexadeca-1,3,5,7,9,11,13,15-octayne?
hexadeca-1,3,5,7,9,11,13,15-octayne has a molecular weight of 194.19 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-1,3,5,7,9,11,13,15-octayne is sourced from PubChem (CID 10986066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).