nona-1,3,5,7-tetrayne

C9H4 — CID 22956828

IUPACnona-1,3,5,7-tetrayne
SMILESC#CC#CC#CC#CC
InChIInChI=1S/C9H4/c1-3-5-7-9-8-6-4-2/h1H,2H3
InChIKeyWZZXZKDJDUNZAG-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.65
Rot. Bonds

About nona-1,3,5,7-tetrayne

nona-1,3,5,7-tetrayne (PubChem CID 22956828) has the molecular formula C9H4 and a molecular weight of 112.13 g/mol. Its IUPAC name is nona-1,3,5,7-tetrayne.

Molecular Properties

Compound Namenona-1,3,5,7-tetrayne
PubChem CID22956828
Molecular FormulaC9H4
Molecular Weight112.13 g/mol
Exact Mass112.03
IUPAC Namenona-1,3,5,7-tetrayne
SMILESC#CC#CC#CC#CC
InChIInChI=1S/C9H4/c1-3-5-7-9-8-6-4-2/h1H,2H3
InChIKeyWZZXZKDJDUNZAG-UHFFFAOYSA-N
XLogP0.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.65
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 nona-1,3,5,7-tetrayne?
The IUPAC name of nona-1,3,5,7-tetrayne (CID 22956828) is nona-1,3,5,7-tetrayne.
What is the SMILES notation for nona-1,3,5,7-tetrayne?
The canonical SMILES for nona-1,3,5,7-tetrayne is C#CC#CC#CC#CC.
What is the InChIKey of nona-1,3,5,7-tetrayne?
The InChIKey is WZZXZKDJDUNZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4/c1-3-5-7-9-8-6-4-2/h1H,2H3.
What are the key properties of nona-1,3,5,7-tetrayne?
nona-1,3,5,7-tetrayne has a molecular weight of 112.13 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nona-1,3,5,7-tetrayne is sourced from PubChem (CID 22956828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).