nona-1,3,5,7-tetrayne

C9H3- — CID 59907654

IUPACnona-1,3,5,7-tetrayne
SMILES[C-]#CC#CC#CC#CC
InChIInChI=1S/C9H3/c1-3-5-7-9-8-6-4-2/h1H3/q-1
InChIKeyMXSCXCVERJDGEY-UHFFFAOYSA-N
MW111.12 g/mol
LogP0.61
Rot. Bonds

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

nona-1,3,5,7-tetrayne (PubChem CID 59907654) has the molecular formula C9H3- and a molecular weight of 111.12 g/mol. Its IUPAC name is nona-1,3,5,7-tetrayne.

Molecular Properties

Compound Namenona-1,3,5,7-tetrayne
PubChem CID59907654
Molecular FormulaC9H3-
Molecular Weight111.12 g/mol
Exact Mass111.02
IUPAC Namenona-1,3,5,7-tetrayne
SMILES[C-]#CC#CC#CC#CC
InChIInChI=1S/C9H3/c1-3-5-7-9-8-6-4-2/h1H3/q-1
InChIKeyMXSCXCVERJDGEY-UHFFFAOYSA-N
XLogP0.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 59907654) 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 MXSCXCVERJDGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3/c1-3-5-7-9-8-6-4-2/h1H3/q-1.
What are the key properties of nona-1,3,5,7-tetrayne?
nona-1,3,5,7-tetrayne has a molecular weight of 111.12 g/mol, XLogP of 0.61, 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 59907654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).