1-iodonona-3,6-diyne

C9H11I — CID 51042316

IUPAC1-iodonona-3,6-diyne
SMILESCCC#CCC#CCCI
InChIInChI=1S/C9H11I/c1-2-3-4-5-6-7-8-9-10/h2,5,8-9H2,1H3
InChIKeyUDOVHKFWIDYVHK-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.62
Rot. Bonds1

About 1-iodonona-3,6-diyne

1-iodonona-3,6-diyne (PubChem CID 51042316) has the molecular formula C9H11I and a molecular weight of 246.09 g/mol. Its IUPAC name is 1-iodonona-3,6-diyne.

Molecular Properties

Compound Name1-iodonona-3,6-diyne
PubChem CID51042316
Molecular FormulaC9H11I
Molecular Weight246.09 g/mol
Exact Mass245.99
IUPAC Name1-iodonona-3,6-diyne
SMILESCCC#CCC#CCCI
InChIInChI=1S/C9H11I/c1-2-3-4-5-6-7-8-9-10/h2,5,8-9H2,1H3
InChIKeyUDOVHKFWIDYVHK-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-3,6-diyne?
The IUPAC name of 1-iodonona-3,6-diyne (CID 51042316) is 1-iodonona-3,6-diyne.
What is the SMILES notation for 1-iodonona-3,6-diyne?
The canonical SMILES for 1-iodonona-3,6-diyne is CCC#CCC#CCCI.
What is the InChIKey of 1-iodonona-3,6-diyne?
The InChIKey is UDOVHKFWIDYVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11I/c1-2-3-4-5-6-7-8-9-10/h2,5,8-9H2,1H3.
What are the key properties of 1-iodonona-3,6-diyne?
1-iodonona-3,6-diyne has a molecular weight of 246.09 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodonona-3,6-diyne is sourced from PubChem (CID 51042316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).