1-iodonona-1,3,5,7-tetrayne

C9H3I — CID 126629440

IUPAC1-iodonona-1,3,5,7-tetrayne
SMILESCC#CC#CC#CC#CI
InChIInChI=1S/C9H3I/c1-2-3-4-5-6-7-8-9-10/h1H3
InChIKeyGJALOAMYOUJTPU-UHFFFAOYSA-N
MW238.03 g/mol
LogP1.41
Rot. Bonds

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

1-iodonona-1,3,5,7-tetrayne (PubChem CID 126629440) has the molecular formula C9H3I and a molecular weight of 238.03 g/mol. Its IUPAC name is 1-iodonona-1,3,5,7-tetrayne.

Molecular Properties

Compound Name1-iodonona-1,3,5,7-tetrayne
PubChem CID126629440
Molecular FormulaC9H3I
Molecular Weight238.03 g/mol
Exact Mass237.93
IUPAC Name1-iodonona-1,3,5,7-tetrayne
SMILESCC#CC#CC#CC#CI
InChIInChI=1S/C9H3I/c1-2-3-4-5-6-7-8-9-10/h1H3
InChIKeyGJALOAMYOUJTPU-UHFFFAOYSA-N
XLogP1.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodonona-1,3,5,7-tetrayne?
The IUPAC name of 1-iodonona-1,3,5,7-tetrayne (CID 126629440) is 1-iodonona-1,3,5,7-tetrayne.
What is the SMILES notation for 1-iodonona-1,3,5,7-tetrayne?
The canonical SMILES for 1-iodonona-1,3,5,7-tetrayne is CC#CC#CC#CC#CI.
What is the InChIKey of 1-iodonona-1,3,5,7-tetrayne?
The InChIKey is GJALOAMYOUJTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3I/c1-2-3-4-5-6-7-8-9-10/h1H3.
What are the key properties of 1-iodonona-1,3,5,7-tetrayne?
1-iodonona-1,3,5,7-tetrayne has a molecular weight of 238.03 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodonona-1,3,5,7-tetrayne is sourced from PubChem (CID 126629440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).